5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine

C15H22BrClN2O — CID 116746223

IUPAC5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
SMILESCOC1(c2nc(Cl)c(Br)c(C(C)C)n2)CCCC(C)C1
InChIInChI=1S/C15H22BrClN2O/c1-9(2)12-11(16)13(17)19-14(18-12)15(20-4)7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3
InChIKeyFBDZNDQJNITOFF-UHFFFAOYSA-N
MW361.71 g/mol
LogP5.07
Rot. Bonds3

About 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine

5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine (PubChem CID 116746223) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
PubChem CID116746223
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
SMILESCOC1(c2nc(Cl)c(Br)c(C(C)C)n2)CCCC(C)C1
InChIInChI=1S/C15H22BrClN2O/c1-9(2)12-11(16)13(17)19-14(18-12)15(20-4)7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3
InChIKeyFBDZNDQJNITOFF-UHFFFAOYSA-N
XLogP5.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.71
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746257
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-5-iodo-6-propan-2-ylpyrimidine
CID 116746228
4-chloro-5-iodo-6-(methoxymethyl)-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116746275
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
2-(1-methoxy-3-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776210
4-chloro-6-cyclopropyl-2-(1-methoxy-3-methylcyclohexyl)pyrimidine
CID 116745914
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116780808
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745747
(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899713
3-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 116780435
1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 116742706
2-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781367

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine (CID 116746223) is 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine is COC1(c2nc(Cl)c(Br)c(C(C)C)n2)CCCC(C)C1.
What is the InChIKey of 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine?
The InChIKey is FBDZNDQJNITOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2O/c1-9(2)12-11(16)13(17)19-14(18-12)15(20-4)7-5-6-10(3)8-15/h9-10H,5-8H2,1-4H3.
What are the key properties of 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine?
5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine has a molecular weight of 361.71 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-(1-methoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 116746223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).