3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one

C14H22N2O2 — CID 84599864

IUPAC3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2(O)CCC(C)CC2)c(=O)c1C
InChIInChI=1S/C14H22N2O2/c1-10-4-6-14(18,7-5-10)8-16-9-15-12(3)11(2)13(16)17/h9-10,18H,4-8H2,1-3H3
InChIKeyUFNSGWAYHAIKSH-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.80
Rot. Bonds2

About 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one

3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 84599864) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID84599864
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2(O)CCC(C)CC2)c(=O)c1C
InChIInChI=1S/C14H22N2O2/c1-10-4-6-14(18,7-5-10)8-16-9-15-12(3)11(2)13(16)17/h9-10,18H,4-8H2,1-3H3
InChIKeyUFNSGWAYHAIKSH-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one (CID 84599864) is 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC2(O)CCC(C)CC2)c(=O)c1C.
What is the InChIKey of 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is UFNSGWAYHAIKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-4-6-14(18,7-5-10)8-16-9-15-12(3)11(2)13(16)17/h9-10,18H,4-8H2,1-3H3.
What are the key properties of 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one?
3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 250.34 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-4-methylcyclohexyl)methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 84599864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).