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CAS 4271-96-9 1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine molecular structure lightbox
CAS RN: 4271-96-9

1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250225 100g In stock Shanghai, Tianjin Inquiry
Batchno.20260328 10g In stock Shanghai, Wuhan Inquiry
Batchno.20250223 1kg In stock Shanghai Inquiry
Batchno.20251023 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260308 500g In stock Shanghai Inquiry
Batchno.20250421 5g In stock Shanghai, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS4271-96-9
  • Purity/Analytical Methods: >99.0%
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4271-96-9 / 1,2-dimethyl-5,6-dihydro-4H-pyrimidine

Standard CAS: 4271-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4271-96-9
Multi CAS
Yes
Molecular Formula
C6H12N2
Molecular Weight
112.170000
Exact Mass
112.100048
InChI
InChI=1S/C6H12N2/c1-6-7-4-3-5-8(6)2/h3-5H2,1-2H3
InChIKey
ZFDWWDZLRKHULH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
2
Molar refractivity
35.22
TPSA
15.6

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
-0.2
Consensus LogP
0.39
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1
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)
-2.88

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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