N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide

C12H9F2N3O2 — CID 140982208

IUPACN-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide
SMILESCc1[nH]c(=O)nc(-c2ccc(F)c(F)c2)c1NC=O
InChIInChI=1S/C12H9F2N3O2/c1-6-10(15-5-18)11(17-12(19)16-6)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,15,18)(H,16,17,19)
InChIKeyOGABVWFIPSIWAC-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.59
Rot. Bonds3

About N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide

N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide (PubChem CID 140982208) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide
PubChem CID140982208
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC NameN-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide
SMILESCc1[nH]c(=O)nc(-c2ccc(F)c(F)c2)c1NC=O
InChIInChI=1S/C12H9F2N3O2/c1-6-10(15-5-18)11(17-12(19)16-6)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,15,18)(H,16,17,19)
InChIKeyOGABVWFIPSIWAC-UHFFFAOYSA-N
XLogP1.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-methyl-4-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 138980158
4-(4-Fluorophenyl)-6-isopropylpyrimidin-2-ol
CID 11630019
4-(4-fluorophenyl)-5-iodo-6-propan-2-yl-1H-pyrimidin-2-one
CID 11717414
4-(4-fluorophenyl)-1,5,6,7-tetrahydro-2H-cyclopentapyrimidin-2-one
CID 19780228
4-(4-fluorophenyl)-5,6,7,8-tetrahydro-2(1H)-quinazolinone
CID 19780233
4-(4-Fluorophenyl)-2-hydroxy-6-methylpyrimidine
CID 23444222
6-Methylidene-5-(oxomethylidene)-4-(3,4,5-trifluorophenyl)pyrimidin-2-one
CID 57293507
5-methyl-6-propyl-4-(3-trifluoromethylphenyl)-1H-pyrimidin-2-one
CID 57839112
6-propyl-4-(3-trifluoromethylphenyl)-1H-pyrimidin-2-one
CID 57839115
4-(4-fluorophenyl)-5-methyl-6-propan-2-yl-1H-pyrimidin-2-one
CID 59016554
4-(4-Fluorophenyl)-1,5-dihydroimidazol-2-one
CID 67151781
4-(3,4-difluorophenyl)-6-methyl-1H-pyrimidin-2-one
CID 86584227

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide (CID 140982208) is N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide is Cc1[nH]c(=O)nc(-c2ccc(F)c(F)c2)c1NC=O.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide?
The InChIKey is OGABVWFIPSIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c1-6-10(15-5-18)11(17-12(19)16-6)7-2-3-8(13)9(14)4-7/h2-5H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide?
N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide has a molecular weight of 265.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-6-methyl-2-oxo-1H-pyrimidin-5-yl]formamide is sourced from PubChem (CID 140982208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).