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CAS 1159734-42-5 1-(pyrimidin-2-yl)cyclopropan-1-amine dihydrochloride molecular structure lightbox
CAS RN: 1159734-42-5

1-(pyrimidin-2-yl)cyclopropan-1-amine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260517 100mg / 250mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1159734-42-5
  • Purity/Analytical Methods: >99.0%
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1159734-42-5 / 1-pyrimidin-2-ylcyclopropan-1-amine;dihydrochloride

1-(pyrimidin-2-yl)cyclopropan-1-amine dihydrochloride | 1-(Pyrimidin-2-yl)cyclopropan-1-amine 2HCl | MFCD30471610

Standard CAS: 1159734-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159734-42-5
Multi CAS
No
Molecular Formula
C7H11Cl2N3
Molecular Weight
208.090000
Exact Mass
207.033003
SMILES
C1CC1(C2=NC=CC=N2)N.Cl.Cl
InChI
InChI=1S/C7H9N3.2ClH/c8-7(2-3-7)6-9-4-1-5-10-6;;/h1,4-5H,2-3,8H2;2*1H
InChIKey
HFHPEBFLEMKIQW-UHFFFAOYSA-N
Synonyms
1-(pyrimidin-2-yl)cyclopropan-1-amine dihydrochloride 1-(Pyrimidin-2-yl)cyclopropan-1-amine 2HCl MFCD30471610 1-(Pyrimidin-2-yl)cyclopropanamine dihydrochloride 1-pyrimidin-2-ylcyclopropan-1-amine;dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.63
TPSA
51.8

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.27
Consensus LogP
1.22
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
Class (SILICOS-IT)
Moderately 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)
-3.09

Drug-likeness / Medicinal Chemistry

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

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