[2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol

C15H24N2O — CID 114205023

IUPAC[2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol
SMILESCCCc1nc(C2CCCC(C)C2)ncc1CO
InChIInChI=1S/C15H24N2O/c1-3-5-14-13(10-18)9-16-15(17-14)12-7-4-6-11(2)8-12/h9,11-12,18H,3-8,10H2,1-2H3
InChIKeyNKUHAIBKCMBWBP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.22
Rot. Bonds4

About [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol

[2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol (PubChem CID 114205023) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol
PubChem CID114205023
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name[2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol
SMILESCCCc1nc(C2CCCC(C)C2)ncc1CO
InChIInChI=1S/C15H24N2O/c1-3-5-14-13(10-18)9-16-15(17-14)12-7-4-6-11(2)8-12/h9,11-12,18H,3-8,10H2,1-2H3
InChIKeyNKUHAIBKCMBWBP-UHFFFAOYSA-N
XLogP3.22
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[2-(3-methylcyclopentyl)-4-propylpyrimidin-5-yl]methanamine
CID 114206597
[2-(3-methylcyclohexyl)pyrimidin-4-yl]methanol
CID 62749547
[4-ethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]methanol
CID 130482982
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
4-chloro-2-(3-methylcyclohexyl)-6-propylpyrimidine
CID 63405027
2-(3-methylcyclohexyl)pyrimidine-5-carboxylic acid
CID 62756246
5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66301834
[2-[cyclopropyl(methoxy)methyl]-4-propylpyrimidin-5-yl]methanol
CID 114205020
2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62007667
N-ethyl-1-[4-methyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 65414648
(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)methanol
CID 126974115
N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62746343

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol?
The IUPAC name of [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol (CID 114205023) is [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol.
What is the SMILES notation for [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol?
The canonical SMILES for [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol is CCCc1nc(C2CCCC(C)C2)ncc1CO.
What is the InChIKey of [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol?
The InChIKey is NKUHAIBKCMBWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-14-13(10-18)9-16-15(17-14)12-7-4-6-11(2)8-12/h9,11-12,18H,3-8,10H2,1-2H3.
What are the key properties of [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol?
[2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol has a molecular weight of 248.37 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114205023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).