N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H19F2N3O4 — CID 2909788

IUPACN-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C20H19F2N3O4/c1-10-17(19(26)24-11-4-7-14(21)15(22)8-11)18(25-20(27)23-10)13-6-5-12(28-2)9-16(13)29-3/h4-9,18H,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyUGADUZHQAFLGMT-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.25
Rot. Bonds5

About N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2909788) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2909788
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC NameN-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C20H19F2N3O4/c1-10-17(19(26)24-11-4-7-14(21)15(22)8-11)18(25-20(27)23-10)13-6-5-12(28-2)9-16(13)29-3/h4-9,18H,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyUGADUZHQAFLGMT-UHFFFAOYSA-N
XLogP3.25
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-Dimethoxybenzyl)-1-(4-ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 592024
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CID 3707929
5-[(2,4-Dimethoxyphenyl)methyl]-1-phenyl-hexahydropyrimidine-2,4,6-trione
CID 2921452
N-(4-{[(2,4-Dimethoxyphenyl)methyl]carbamoyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
CID 16026055
4-(4-Methoxy-benzoylamino)-piperidine-1-carboxylic acid (4-fluoro-phenyl)-amide
CID 24792387
2-(2,4-dimethoxyphenyl)-3-propyl-2,3-dihydroquinazolin-4(1H)-one
CID 649192
4-(2,3-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2850737
N-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 4358109
3-[5,7-dimethoxy-3-(4-methoxyphenyl)-2-oxoquinolin-1-yl]-N,N-diethylpropanamide
CID 9845988
2-(2,4-Dimethoxyphenyl)-2,3-dihydroquinazolin-4(1h)-one
CID 484120
3-[(4-fluorophenyl)methyl]-5,7-dimethoxy-4-methyl-1H-quinolin-2-one
CID 71115976
1-(1-methyl-2-oxoquinolin-5-yl)-3-[(4R)-7-(trifluoromethoxy)-3,4-dihydro-2H-chromen-4-yl]urea
CID 71610682

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2909788) is N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)c(F)c2)c(OC)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is UGADUZHQAFLGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-10-17(19(26)24-11-4-7-14(21)15(22)8-11)18(25-20(27)23-10)13-6-5-12(28-2)9-16(13)29-3/h4-9,18H,1-3H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2909788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).