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

C12H11N3O4 — CID 110860019

IUPACN-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)14-10(16)9-6-13-12(18)15-11(9)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyVALYJWNQWFLHJR-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.32
Rot. Bonds3

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

N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 110860019) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID110860019
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOc1cccc(NC(=O)c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)14-10(16)9-6-13-12(18)15-11(9)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18)
InChIKeyVALYJWNQWFLHJR-UHFFFAOYSA-N
XLogP0.32
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 113206986
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CID 51154923
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
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N-(3-methoxyphenyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110650244
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
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2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
N-(3-methoxyphenyl)-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 112513876
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
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N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
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methane;N-(3-methoxyphenyl)acetamide
CID 161026095

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 110860019) is N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COc1cccc(NC(=O)c2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VALYJWNQWFLHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-19-8-4-2-3-7(5-8)14-10(16)9-6-13-12(18)15-11(9)17/h2-6H,1H3,(H,14,16)(H2,13,15,17,18).
What are the key properties of N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110860019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).