4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one

C15H16N2O2 — CID 135975552

IUPAC4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cccc(Cc2nc(C3CC3)cc(=O)[nH]2)c1
InChIInChI=1S/C15H16N2O2/c1-19-12-4-2-3-10(7-12)8-14-16-13(11-5-6-11)9-15(18)17-14/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyFMKYMUDRGQFEKZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.25
Rot. Bonds4

About 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one

4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135975552) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135975552
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1cccc(Cc2nc(C3CC3)cc(=O)[nH]2)c1
InChIInChI=1S/C15H16N2O2/c1-19-12-4-2-3-10(7-12)8-14-16-13(11-5-6-11)9-15(18)17-14/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17,18)
InChIKeyFMKYMUDRGQFEKZ-UHFFFAOYSA-N
XLogP2.25
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136729467
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
2-[(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860398
4-cyclopropyl-2-[4-[[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]methyl]phenyl]-1H-pyrimidin-6-one
CID 135914872
4-[(3R)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-2-[(3-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136850355
4-hydroxy-6-[(3-methoxyphenyl)methyl]-1H-pyridin-2-one
CID 118471216
3-[(3-methoxyphenyl)methyl]-1H-pyridazin-6-one
CID 11769880
5-methoxy-2-[(3-methoxyphenyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 65483071
5-bromo-2-[(3-methoxyphenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479173
1-[4-[4-[(3-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 92616934
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293
2-[(3-methoxyphenyl)methyl]-4,6-dimethyl-5-piperidin-3-ylpyrimidine
CID 115069993

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 135975552) is 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1cccc(Cc2nc(C3CC3)cc(=O)[nH]2)c1.
What is the InChIKey of 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is FMKYMUDRGQFEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-12-4-2-3-10(7-12)8-14-16-13(11-5-6-11)9-15(18)17-14/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one?
4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 256.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[(3-methoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135975552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).