6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine

C12H18ClN3 — CID 64923632

IUPAC6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC1CCC(C)C1C
InChIInChI=1S/C12H18ClN3/c1-7-4-5-10(8(7)2)16-12-9(3)11(13)14-6-15-12/h6-8,10H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyWVIFSTLXZZLPCS-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.28
Rot. Bonds2

About 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine

6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine (PubChem CID 64923632) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
PubChem CID64923632
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NC1CCC(C)C1C
InChIInChI=1S/C12H18ClN3/c1-7-4-5-10(8(7)2)16-12-9(3)11(13)14-6-15-12/h6-8,10H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyWVIFSTLXZZLPCS-UHFFFAOYSA-N
XLogP3.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 63728358
6-chloro-N-(2,3-dimethylcyclopentyl)-2,5-dimethylpyrimidin-4-amine
CID 64920876
6-chloro-5-methyl-N-(1-methylpiperidin-4-yl)pyrimidin-4-amine
CID 63730271
4-N-(2,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 80840241
4-N-(2,3-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80841005
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
5-chloro-4-N-(2,3-dimethylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 80841279
6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 83020197
6-chloro-N-(1-cyclopropylethyl)-5-methylpyrimidin-4-amine
CID 63730461
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669042
5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 114071933

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine (CID 64923632) is 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NC1CCC(C)C1C.
What is the InChIKey of 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine?
The InChIKey is WVIFSTLXZZLPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-7-4-5-10(8(7)2)16-12-9(3)11(13)14-6-15-12/h6-8,10H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine?
6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethylcyclopentyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 64923632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).