4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine

C17H20ClN3 — CID 82461273

IUPAC4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine
SMILESCC1CCCCC1Nc1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C17H20ClN3/c1-12-7-5-6-10-14(12)19-17-20-15(11-16(18)21-17)13-8-3-2-4-9-13/h2-4,8-9,11-12,14H,5-7,10H2,1H3,(H,19,20,21)
InChIKeyRMPHFGOPSHXBTK-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.79
Rot. Bonds3

About 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine

4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine (PubChem CID 82461273) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine
PubChem CID82461273
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine
SMILESCC1CCCCC1Nc1nc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C17H20ClN3/c1-12-7-5-6-10-14(12)19-17-20-15(11-16(18)21-17)13-8-3-2-4-9-13/h2-4,8-9,11-12,14H,5-7,10H2,1H3,(H,19,20,21)
InChIKeyRMPHFGOPSHXBTK-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2-methylcyclopropyl)-6-phenylpyrimidine
CID 65422322
4-chloro-2-(4-methylcyclohexyl)-6-phenylpyrimidine
CID 63404866
4-chloro-2-(2,2-dimethylcyclopropyl)-6-phenylpyrimidine
CID 107925396
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
4,6-dimethyl-N-(2-methylcyclopentyl)pyrimidin-2-amine
CID 63281309
2,4-dichloro-6-phenylpyrimidine;ethane
CID 143206221
N-[(1R,2R)-2-methylcyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889054
trans-(1R,2R)-2-N-(4-chloro-6-methylpyrimidin-2-yl)cyclohexane-1,2-diamine
CID 97162819
2-chloro-N-(2-methylcycloheptyl)pyridin-4-amine
CID 102824270
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
2-methyl-N-[(1S,2R)-2-methylcyclohexyl]-6-phenylpyridine-3-carboxamide
CID 31847366
N-(2-methylcyclohexyl)pyridin-2-amine
CID 43079705

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine (CID 82461273) is 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine is CC1CCCCC1Nc1nc(Cl)cc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine?
The InChIKey is RMPHFGOPSHXBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-12-7-5-6-10-14(12)19-17-20-15(11-16(18)21-17)13-8-3-2-4-9-13/h2-4,8-9,11-12,14H,5-7,10H2,1H3,(H,19,20,21).
What are the key properties of 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine?
4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine has a molecular weight of 301.82 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylcyclohexyl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 82461273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).