5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

C16H18N2O — CID 139016979

IUPAC5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cc1nc(C)c(C2CC2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O/c1-10-5-3-4-6-13(10)9-14-17-11(2)15(12-7-8-12)16(19)18-14/h3-6,12H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyPTMGLMSJQZKNPF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.85
Rot. Bonds3

About 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one

5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 139016979) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID139016979
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
SMILESCc1ccccc1Cc1nc(C)c(C2CC2)c(=O)[nH]1
InChIInChI=1S/C16H18N2O/c1-10-5-3-4-6-13(10)9-14-17-11(2)15(12-7-8-12)16(19)18-14/h3-6,12H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyPTMGLMSJQZKNPF-UHFFFAOYSA-N
XLogP2.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one (CID 139016979) is 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is Cc1ccccc1Cc1nc(C)c(C2CC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is PTMGLMSJQZKNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-5-3-4-6-13(10)9-14-17-11(2)15(12-7-8-12)16(19)18-14/h3-6,12H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one?
5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 139016979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).