1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine

C9H12ClN3 — CID 84774698

IUPAC1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine
SMILESCc1nc(C)c(C2(N)CC2)c(Cl)n1
InChIInChI=1S/C9H12ClN3/c1-5-7(9(11)3-4-9)8(10)13-6(2)12-5/h3-4,11H2,1-2H3
InChIKeyCLDMLYYSTGMRJY-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.69
Rot. Bonds1

About 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine

1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine (PubChem CID 84774698) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine
PubChem CID84774698
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine
SMILESCc1nc(C)c(C2(N)CC2)c(Cl)n1
InChIInChI=1S/C9H12ClN3/c1-5-7(9(11)3-4-9)8(10)13-6(2)12-5/h3-4,11H2,1-2H3
InChIKeyCLDMLYYSTGMRJY-UHFFFAOYSA-N
XLogP1.69
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-5-ethyl-6-methylpyrimidin-2-amine
CID 676462
4-Chloro-5,6,7,8-tetrahydroquinazolin-2-amine
CID 13707820
4-chloro-2-methyl-5H,6H,7H-cyclopenta(d)pyrimidine
CID 351135
4-Chloro-2-methyl-5,6,7,8-tetrahydroquinazoline
CID 19744207
4-Chloro-6-cyclopropyl-2-methylpyrimidine
CID 45788112
2,4-dichloro-5H,6H,7H,8H,9H,10H-cycloocta(d)pyrimidine
CID 65712280
6-Methyl-5-propylpyrimidine-2,4-diamine
CID 44356854
2,6-Diethyl-5-methylpyrimidin-4-amine
CID 248110
4-Ethyl-2,5,6-trimethylpyrimidine
CID 14199147
2,4-Dichloro-6-ethyl-5-propan-2-ylpyrimidine
CID 10513045
4-Chloro-2,5,6-tris(1,1-dimethylethyl)pyrimidine
CID 14642745
4-Pyrimidinamine, 5-ethyl-2,6-dipropyl-
CID 12285747

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine (CID 84774698) is 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine is Cc1nc(C)c(C2(N)CC2)c(Cl)n1.
What is the InChIKey of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine?
The InChIKey is CLDMLYYSTGMRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-5-7(9(11)3-4-9)8(10)13-6(2)12-5/h3-4,11H2,1-2H3.
What are the key properties of 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine?
1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine has a molecular weight of 197.67 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-dimethylpyrimidin-5-yl)cyclopropan-1-amine is sourced from PubChem (CID 84774698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).