N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C14H15N3O5 — CID 121025230

IUPACN-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c(=O)n(C)c2=O)cc1OC
InChIInChI=1S/C14H15N3O5/c1-17-13(19)9(7-15-14(17)20)12(18)16-8-4-5-10(21-2)11(6-8)22-3/h4-7H,1-3H3,(H,15,20)(H,16,18)
InChIKeyUMECHTJQUKUCLZ-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.34
Rot. Bonds4

About N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121025230) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121025230
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC NameN-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c[nH]c(=O)n(C)c2=O)cc1OC
InChIInChI=1S/C14H15N3O5/c1-17-13(19)9(7-15-14(17)20)12(18)16-8-4-5-10(21-2)11(6-8)22-3/h4-7H,1-3H3,(H,15,20)(H,16,18)
InChIKeyUMECHTJQUKUCLZ-UHFFFAOYSA-N
XLogP0.34
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
3-methyl-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025257
3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 16815268
N-[3-(methanesulfonamido)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 56766087
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
N-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27376438
N,3-dimethyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 130708433
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812
N-(3-fluoro-4-methoxyphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696395
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
N-(3,4-dimethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285321
N-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-5-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41230865

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121025230) is N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2c[nH]c(=O)n(C)c2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is UMECHTJQUKUCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-17-13(19)9(7-15-14(17)20)12(18)16-8-4-5-10(21-2)11(6-8)22-3/h4-7H,1-3H3,(H,15,20)(H,16,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 305.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121025230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).