N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H11N3O4 — CID 64792716

IUPACN-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1O
InChIInChI=1S/C12H11N3O4/c1-6-2-3-7(4-9(6)16)13-11(18)8-5-10(17)15-12(19)14-8/h2-5,16H,1H3,(H,13,18)(H2,14,15,17,19)
InChIKeyDPEKEIUATUCOBN-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.33
Rot. Bonds2

About N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 64792716) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID64792716
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1O
InChIInChI=1S/C12H11N3O4/c1-6-2-3-7(4-9(6)16)13-11(18)8-5-10(17)15-12(19)14-8/h2-5,16H,1H3,(H,13,18)(H2,14,15,17,19)
InChIKeyDPEKEIUATUCOBN-UHFFFAOYSA-N
XLogP0.33
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
N-[4-[(2,6-dimethylphenyl)carbamoyl]phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 46989148
N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698301
methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 9396061
N-(3-hydroxy-4-methylphenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113290193
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
N-[3-(methylaminomethyl)phenyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43601896
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
CID 64792908
N-(3,4-dimethylphenyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261392

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 64792716) is N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1ccc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is DPEKEIUATUCOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-6-2-3-7(4-9(6)16)13-11(18)8-5-10(17)15-12(19)14-8/h2-5,16H,1H3,(H,13,18)(H2,14,15,17,19).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.33, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 64792716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).