N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H11N3O4 — CID 114332464

IUPACN-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H11N3O4/c16-9-4-2-1-3-7(9)6-13-11(18)8-5-10(17)15-12(19)14-8/h1-5,16H,6H2,(H,13,18)(H2,14,15,17,19)
InChIKeyIMELSZDFKAYSPG-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.30
Rot. Bonds3

About N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 114332464) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID114332464
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC NameN-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NCc1ccccc1O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H11N3O4/c16-9-4-2-1-3-7(9)6-13-11(18)8-5-10(17)15-12(19)14-8/h1-5,16H,6H2,(H,13,18)(H2,14,15,17,19)
InChIKeyIMELSZDFKAYSPG-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 61413769
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 54896283
2,4-dioxo-N-[(6-phenylpyrimidin-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 122262021
4-chloro-N-[(2-hydroxyphenyl)methyl]-1H-pyrrole-2-carboxamide
CID 115598815
(3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate
CID 7037985
2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide
CID 62659763
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 114332464) is N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NCc1ccccc1O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is IMELSZDFKAYSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-9-4-2-1-3-7(9)6-13-11(18)8-5-10(17)15-12(19)14-8/h1-5,16H,6H2,(H,13,18)(H2,14,15,17,19).
What are the key properties of N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 261.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 114332464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).