3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C19H17N3O4 — CID 5142971

IUPAC3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12-4-3-5-13(10-12)21-17(23)16-11-20-19(25)22(18(16)24)14-6-8-15(26-2)9-7-14/h3-11H,1-2H3,(H,20,25)(H,21,23)
InChIKeyLIPJYZQEAATSCC-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.10
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 5142971) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID5142971
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-12-4-3-5-13(10-12)21-17(23)16-11-20-19(25)22(18(16)24)14-6-8-15(26-2)9-7-14/h3-11H,1-2H3,(H,20,25)(H,21,23)
InChIKeyLIPJYZQEAATSCC-UHFFFAOYSA-N
XLogP2.10
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
N-(4-carbamoylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5096654
N-(3-chlorophenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4108044
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-(4-acetylphenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 4113283
3-(4-ethoxyphenyl)-N-(3-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137314
3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 16815268
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
N-(2,6-dimethylphenyl)-3-(4-ethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137313
3-(3,4-dimethylphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 3627238

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 5142971) is 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3cccc(C)c3)c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LIPJYZQEAATSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-4-3-5-13(10-12)21-17(23)16-11-20-19(25)22(18(16)24)14-6-8-15(26-2)9-7-14/h3-11H,1-2H3,(H,20,25)(H,21,23).
What are the key properties of 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(3-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 5142971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).