2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one

C19H24N2O2 — CID 135499514

IUPAC2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)cc(Cc2cc(=O)[nH]c(OC3CCCCC3)n2)c1
InChIInChI=1S/C19H24N2O2/c1-13-8-14(2)10-15(9-13)11-16-12-18(22)21-19(20-16)23-17-6-4-3-5-7-17/h8-10,12,17H,3-7,11H2,1-2H3,(H,20,21,22)
InChIKeyYNHSXWRQDKFKLC-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.69
Rot. Bonds4

About 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one

2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135499514) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135499514
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)cc(Cc2cc(=O)[nH]c(OC3CCCCC3)n2)c1
InChIInChI=1S/C19H24N2O2/c1-13-8-14(2)10-15(9-13)11-16-12-18(22)21-19(20-16)23-17-6-4-3-5-7-17/h8-10,12,17H,3-7,11H2,1-2H3,(H,20,21,22)
InChIKeyYNHSXWRQDKFKLC-UHFFFAOYSA-N
XLogP3.69
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one (CID 135499514) is 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one is Cc1cc(C)cc(Cc2cc(=O)[nH]c(OC3CCCCC3)n2)c1.
What is the InChIKey of 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is YNHSXWRQDKFKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-8-14(2)10-15(9-13)11-16-12-18(22)21-19(20-16)23-17-6-4-3-5-7-17/h8-10,12,17H,3-7,11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one?
2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 312.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-4-[(3,5-dimethylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135499514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).