4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one

C14H16F2N2O2 — CID 18740755

IUPAC4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one
SMILESCOCC1=C(C)C(c2ccc(F)c(F)c2)N(C)C(=O)N1
InChIInChI=1S/C14H16F2N2O2/c1-8-12(7-20-3)17-14(19)18(2)13(8)9-4-5-10(15)11(16)6-9/h4-6,13H,7H2,1-3H3,(H,17,19)
InChIKeyOUYMGIDSAJBGBK-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.58
Rot. Bonds3

About 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one

4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one (PubChem CID 18740755) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one
PubChem CID18740755
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one
SMILESCOCC1=C(C)C(c2ccc(F)c(F)c2)N(C)C(=O)N1
InChIInChI=1S/C14H16F2N2O2/c1-8-12(7-20-3)17-14(19)18(2)13(8)9-4-5-10(15)11(16)6-9/h4-6,13H,7H2,1-3H3,(H,17,19)
InChIKeyOUYMGIDSAJBGBK-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one (CID 18740755) is 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one is COCC1=C(C)C(c2ccc(F)c(F)c2)N(C)C(=O)N1.
What is the InChIKey of 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one?
The InChIKey is OUYMGIDSAJBGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-8-12(7-20-3)17-14(19)18(2)13(8)9-4-5-10(15)11(16)6-9/h4-6,13H,7H2,1-3H3,(H,17,19).
What are the key properties of 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one?
4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one has a molecular weight of 282.29 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-6-(methoxymethyl)-3,5-dimethyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 18740755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).