N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C12H11N3O4 — CID 60653296

IUPACN-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1CO)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H11N3O4/c16-6-7-3-1-2-4-9(7)14-10(17)8-5-13-12(19)15-11(8)18/h1-5,16H,6H2,(H,14,17)(H2,13,15,18,19)
InChIKeyGKHOKMPZPBQNJF-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.19
Rot. Bonds3

About N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 60653296) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID60653296
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1CO)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H11N3O4/c16-6-7-3-1-2-4-9(7)14-10(17)8-5-13-12(19)15-11(8)18/h1-5,16H,6H2,(H,14,17)(H2,13,15,18,19)
InChIKeyGKHOKMPZPBQNJF-UHFFFAOYSA-N
XLogP-0.19
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 28773270
N-(2-aminophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43599993
N-[4-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64794316
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-6-fluorobenzoic acid
CID 43442864
N-(2,5-dimethylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110857337
N-(2,4-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110864096
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-fluorobenzoic acid
CID 28773366
(3R)-3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-phenylpropanoic acid
CID 99933375
N-(2-chloro-4-hydroxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64786362
2,3,4-trifluoro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 79749595
2,5-dichloro-N-[2-(hydroxymethyl)phenyl]benzamide
CID 61497828
3-hydroxy-N-[2-(hydroxymethyl)phenyl]-2-methylbenzamide
CID 82828984

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 60653296) is N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccccc1CO)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GKHOKMPZPBQNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-6-7-3-1-2-4-9(7)14-10(17)8-5-13-12(19)15-11(8)18/h1-5,16H,6H2,(H,14,17)(H2,13,15,18,19).
What are the key properties of N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 261.24 g/mol, XLogP of -0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 60653296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).