5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine

C18H22N2O — CID 54233658

IUPAC5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2ccc(C3CCC(C)CC3)cc2)nc1
InChIInChI=1S/C18H22N2O/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18-19-11-17(21-2)12-20-18/h7-14H,3-6H2,1-2H3
InChIKeyQLALBPFZOAJUIC-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.45
Rot. Bonds3

About 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine

5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine (PubChem CID 54233658) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine.

Molecular Properties

Compound Name5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
PubChem CID54233658
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine
SMILESCOc1cnc(-c2ccc(C3CCC(C)CC3)cc2)nc1
InChIInChI=1S/C18H22N2O/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18-19-11-17(21-2)12-20-18/h7-14H,3-6H2,1-2H3
InChIKeyQLALBPFZOAJUIC-UHFFFAOYSA-N
XLogP4.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,3S)-2-[4-[5-(difluoromethoxy)pyrimidin-2-yl]phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 72948227
2-Phenylpyrimidin-5-ol
CID 598996
5-Methoxy-2-phenyl-4-(phenylsulfanyl)pyrimidine
CID 1491526
2-(2-Isopropylphenyl)-5-methoxy-N-(4-(pyridin-3-yl)benzyl)pyrimidin-4-amine
CID 60167847
(1R,2R,3R)-2-[4-[5-(difluoromethoxy)pyrimidin-2-yl]phenyl]-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 127028844
Benzonitrile, 4-[5-(trans-4-ethylcyclohexyl)-2-pyrimidinyl]-
CID 175154
US9963444, Example 115
CID 118524766
US10233152, Example 115
CID 129279670
US10233152, Example 109
CID 129280536
4-[(4-Phenylphenyl)methylamino]-2-(2-propan-2-ylphenyl)pyrimidin-5-ol
CID 139208757
2-[4-[5-(difluoromethoxy)pyrimidin-2-yl]phenyl]-1-fluoro-N-hydroxy-3-phenylcyclopropane-1-carboxamide
CID 123429739
2-[Ethyl(1-phenylpropyl)amino]pyrimidin-5-ol
CID 44395774

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine?
The IUPAC name of 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine (CID 54233658) is 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine.
What is the SMILES notation for 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine?
The canonical SMILES for 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine is COc1cnc(-c2ccc(C3CCC(C)CC3)cc2)nc1.
What is the InChIKey of 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine?
The InChIKey is QLALBPFZOAJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)18-19-11-17(21-2)12-20-18/h7-14H,3-6H2,1-2H3.
What are the key properties of 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine?
5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-(4-methylcyclohexyl)phenyl]pyrimidine is sourced from PubChem (CID 54233658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).