N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H9F2N3O3 — CID 1471117

IUPACN-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(F)cc2F)[nH]c1=O
InChIInChI=1S/C12H9F2N3O3/c1-17-10(18)5-9(16-12(17)20)11(19)15-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H,15,19)(H,16,20)
InChIKeyNXGHAXYUDKEJOV-UHFFFAOYSA-N
MW281.22 g/mol
LogP0.60
Rot. Bonds2

About N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 1471117) has the molecular formula C12H9F2N3O3 and a molecular weight of 281.22 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID1471117
Molecular FormulaC12H9F2N3O3
Molecular Weight281.22 g/mol
Exact Mass281.06
IUPAC NameN-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(F)cc2F)[nH]c1=O
InChIInChI=1S/C12H9F2N3O3/c1-17-10(18)5-9(16-12(17)20)11(19)15-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H,15,19)(H,16,20)
InChIKeyNXGHAXYUDKEJOV-UHFFFAOYSA-N
XLogP0.60
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.22
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 3695666
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110863623
N-(2,4-difluorophenyl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26360019
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
N-[(E)-(2-fluorophenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 44724108
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
N-(2,4-difluorophenyl)-1-methylimidazole-2-carboxamide
CID 110467265
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 1471117) is N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(F)cc2F)[nH]c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NXGHAXYUDKEJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O3/c1-17-10(18)5-9(16-12(17)20)11(19)15-8-3-2-6(13)4-7(8)14/h2-5H,1H3,(H,15,19)(H,16,20).
What are the key properties of N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 281.22 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 1471117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).