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CAS 103694-27-5 5-Pyrimidinemethanamine, 4-amino- (9CI) molecular structure lightbox
CAS RN: 103694-27-5

5-Pyrimidinemethanamine, 4-amino- (9CI)

  • Product code: SSC-005277
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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: ≥95%
  • 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 103694-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

103694-27-5 / 5-(aminomethyl)pyrimidin-4-amine

5-(aminomethyl)pyrimidin-4-amine | 4-Amino-5-pyrimidinemethylamine | 5-Pyrimidinemethanamine, 4-amino- (9CI)

Standard CAS: 103694-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103694-27-5
Multi CAS
No
Molecular Formula
C5H8N4
Molecular Weight
124.140000
Exact Mass
124.074896
SMILES
C1=C(C(=NC=N1)N)CN
InChI
InChI=1S/C5H8N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,1,6H2,(H2,7,8,9)
InChIKey
MKYITYRIURYLEQ-UHFFFAOYSA-N
Synonyms
5-(aminomethyl)pyrimidin-4-amine 4-Amino-5-pyrimidinemethylamine 5-Pyrimidinemethanamine, 4-amino- (9CI) MFCD05864426 SCHEMBL317515

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
34.34
TPSA
77.82

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.7
Consensus LogP
-0.54
Log S (ESOL)
-0.73
Class (ESOL)
Very soluble
Log S (Ali)
-0.23
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-3.82

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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