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CAS 1005-37-4 NSC36831 molecular structure lightbox
CAS RN: 1005-37-4

NSC36831

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 5g In stock Shanghai Inquiry
  • Product code: SSC-001075
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1005-37-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1005-37-4 / 6-chloro-4-N-methylpyrimidine-2,4-diamine

6-chloro-n4-methylpyrimidine-2,4-diamine | MFCD02091108 | 6-chloro-4-N-methylpyrimidine-2,4-diamine

Standard CAS: 1005-37-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1005-37-4
Multi CAS
Yes
Molecular Formula
C5H7ClN4
Molecular Weight
158.590000
Exact Mass
158.035924
SMILES
CNC1=CC(=NC(=N1)N)Cl
InChI
InChI=1S/C5H7ClN4/c1-8-4-2-3(6)9-5(7)10-4/h2H,1H3,(H3,7,8,9,10)
InChIKey
CXWJDRREGHIEMH-UHFFFAOYSA-N
Synonyms
6-chloro-n4-methylpyrimidine-2,4-diamine MFCD02091108 6-chloro-4-N-methylpyrimidine-2,4-diamine 6-chloro-N~4~-methylpyrimidine-2,4-diamine 2,4-Pyrimidinediamine, 6-chloro-N4-methyl-

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41
TPSA
63.83

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
1.1
Consensus LogP
0.84
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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