4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine

C17H19ClN2 — CID 63404910

IUPAC4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine
SMILESCc1cc(Cl)nc(C2(c3ccccc3)CCCCC2)n1
InChIInChI=1S/C17H19ClN2/c1-13-12-15(18)20-16(19-13)17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyKSKSSXDFLZTHSW-UHFFFAOYSA-N
MW286.81 g/mol
LogP4.69
Rot. Bonds2

About 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine

4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine (PubChem CID 63404910) has the molecular formula C17H19ClN2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine
PubChem CID63404910
Molecular FormulaC17H19ClN2
Molecular Weight286.81 g/mol
Exact Mass286.12
IUPAC Name4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine
SMILESCc1cc(Cl)nc(C2(c3ccccc3)CCCCC2)n1
InChIInChI=1S/C17H19ClN2/c1-13-12-15(18)20-16(19-13)17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3
InChIKeyKSKSSXDFLZTHSW-UHFFFAOYSA-N
XLogP4.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(1-phenylcyclobutyl)pyrimidine-4-carboxylic acid
CID 63078490
4-chloro-6-cyclopropyl-2-(1-phenylcyclopentyl)pyrimidine
CID 63405805
6-methyl-2-(1-phenylcyclopropyl)pyrimidine-4-carboxylic acid
CID 63078321
4-tert-butyl-6-chloro-2-(1-phenylcyclopropyl)pyrimidine
CID 63079657
4-chloro-6-cyclopropyl-2-(1-phenylcyclobutyl)pyrimidine
CID 63355022
[6-methyl-2-(1-phenylcyclopropyl)pyrimidin-4-yl]hydrazine
CID 63078303
4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine
CID 66292727
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
4,6-dichloro-5-iodo-2-(1-phenylcyclobutyl)pyrimidine
CID 66316200
1,1-diphenylcyclotetradecane
CID 175822005
4-chloro-6-ethyl-2-(4-phenyloxan-4-yl)pyrimidine
CID 63082884
6-ethyl-2-(1-phenylcyclohexyl)pyrimidin-4-amine
CID 63080795

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine (CID 63404910) is 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine is Cc1cc(Cl)nc(C2(c3ccccc3)CCCCC2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine?
The InChIKey is KSKSSXDFLZTHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2/c1-13-12-15(18)20-16(19-13)17(10-6-3-7-11-17)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine?
4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine has a molecular weight of 286.81 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(1-phenylcyclohexyl)pyrimidine is sourced from PubChem (CID 63404910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).