5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine

C12H16BrClN2 — CID 66293541

IUPAC5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
SMILESCc1nc(C2CCC(C)CC2)nc(Cl)c1Br
InChIInChI=1S/C12H16BrClN2/c1-7-3-5-9(6-4-7)12-15-8(2)10(13)11(14)16-12/h7,9H,3-6H2,1-2H3
InChIKeyWHRSEMFIQUIXOM-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.49
Rot. Bonds1

About 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine

5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine (PubChem CID 66293541) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
PubChem CID66293541
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
SMILESCc1nc(C2CCC(C)CC2)nc(Cl)c1Br
InChIInChI=1S/C12H16BrClN2/c1-7-3-5-9(6-4-7)12-15-8(2)10(13)11(14)16-12/h7,9H,3-6H2,1-2H3
InChIKeyWHRSEMFIQUIXOM-UHFFFAOYSA-N
XLogP4.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine
CID 66293950
4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66294162
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
CID 63612318
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
[4,6-dimethyl-2-(4-methylcyclohexyl)pyrimidin-5-yl]methanamine
CID 62745432
5-bromo-4-chloro-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methylpyrimidine
CID 103344676
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
5-bromo-4-chloro-6-ethyl-2-(4-ethylcyclohexyl)pyrimidine
CID 66294833
4-chloro-2-(4-ethylcyclohexyl)-5,6-dimethylpyrimidine
CID 65393714
5-ethyl-6-methyl-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 62191021

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine (CID 66293541) is 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine is Cc1nc(C2CCC(C)CC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine?
The InChIKey is WHRSEMFIQUIXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-7-3-5-9(6-4-7)12-15-8(2)10(13)11(14)16-12/h7,9H,3-6H2,1-2H3.
What are the key properties of 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine?
5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine has a molecular weight of 303.63 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 66293541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).