5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine

C15H22BrClN2 — CID 66293950

IUPAC5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine
SMILESCc1nc(C2CCC(C(C)(C)C)CC2)nc(Cl)c1Br
InChIInChI=1S/C15H22BrClN2/c1-9-12(16)13(17)19-14(18-9)10-5-7-11(8-6-10)15(2,3)4/h10-11H,5-8H2,1-4H3
InChIKeyUVUUIYGNSKENDJ-UHFFFAOYSA-N
MW345.71 g/mol
LogP5.52
Rot. Bonds1

About 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine

5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine (PubChem CID 66293950) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine
PubChem CID66293950
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC Name5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine
SMILESCc1nc(C2CCC(C(C)(C)C)CC2)nc(Cl)c1Br
InChIInChI=1S/C15H22BrClN2/c1-9-12(16)13(17)19-14(18-9)10-5-7-11(8-6-10)15(2,3)4/h10-11H,5-8H2,1-4H3
InChIKeyUVUUIYGNSKENDJ-UHFFFAOYSA-N
XLogP5.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.71
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-amine
CID 66306252
5-bromo-4-chloro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66293541
2-(4-tert-butylcyclohexyl)-5,6-dimethylpyrimidin-4-amine
CID 65415438
2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 66292595
3-(4-tert-butylcyclohexyl)-5-chloro-1,2,4-thiadiazole
CID 65412658
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66298196
5-bromo-4-tert-butyl-6-chloro-2-(4,4-dimethylcyclohexyl)pyrimidine
CID 66293175
5-bromo-4-tert-butyl-6-chloro-2-(oxan-4-yl)pyrimidine
CID 66291956
5-bromo-2-(4-tert-butylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479135

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine?
The IUPAC name of 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine (CID 66293950) is 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine.
What is the SMILES notation for 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine?
The canonical SMILES for 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine is Cc1nc(C2CCC(C(C)(C)C)CC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine?
The InChIKey is UVUUIYGNSKENDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-9-12(16)13(17)19-14(18-9)10-5-7-11(8-6-10)15(2,3)4/h10-11H,5-8H2,1-4H3.
What are the key properties of 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine?
5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine has a molecular weight of 345.71 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-tert-butylcyclohexyl)-4-chloro-6-methylpyrimidine is sourced from PubChem (CID 66293950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).