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

C13H20ClN3 — CID 79075440

IUPAC2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NC1CCCC(C)C1C
InChIInChI=1S/C13H20ClN3/c1-8-5-4-6-11(10(8)3)16-12-9(2)7-15-13(14)17-12/h7-8,10-11H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyUNDDWECULVTSIO-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.68
Rot. Bonds2

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

2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine (PubChem CID 79075440) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine
PubChem CID79075440
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine
SMILESCc1cnc(Cl)nc1NC1CCCC(C)C1C
InChIInChI=1S/C13H20ClN3/c1-8-5-4-6-11(10(8)3)16-12-9(2)7-15-13(14)17-12/h7-8,10-11H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyUNDDWECULVTSIO-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,3-dimethylcyclohexyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80777222
2-chloro-4-N-(2,3-dimethylcyclohexyl)-6-methylpyrimidine-4,5-diamine
CID 114043533
5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80777437
5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019
2-chloro-5-methyl-N-(3-methylcyclobutyl)pyrimidin-4-amine
CID 90877547
2-chloro-N-(2,3-dimethylcyclopentyl)-5-nitropyrimidin-4-amine
CID 114043337
3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
CID 106875451
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663
(4S)-3-[(2-chloro-5-methylpyrimidin-4-yl)amino]oxane-4-carbonitrile
CID 171441448
N-(2,3-dimethylcyclohexyl)-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 102686234
[4-[(2-chloro-5-methylpyrimidin-4-yl)amino]cyclohexyl]carbamic acid
CID 141129534
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine (CID 79075440) is 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine is Cc1cnc(Cl)nc1NC1CCCC(C)C1C.
What is the InChIKey of 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine?
The InChIKey is UNDDWECULVTSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-8-5-4-6-11(10(8)3)16-12-9(2)7-15-13(14)17-12/h7-8,10-11H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine?
2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dimethylcyclohexyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79075440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).