N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide

C12H10N4O3 — CID 3641500

IUPACN-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NN=Cc1ccccc1O)c1cnc[nH]c1=O
InChIInChI=1S/C12H10N4O3/c17-10-4-2-1-3-8(10)5-15-16-12(19)9-6-13-7-14-11(9)18/h1-7,17H,(H,16,19)(H,13,14,18)
InChIKeyZYBSUOKMKAZHNV-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.24
Rot. Bonds3

About N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide

N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 3641500) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID3641500
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NN=Cc1ccccc1O)c1cnc[nH]c1=O
InChIInChI=1S/C12H10N4O3/c17-10-4-2-1-3-8(10)5-15-16-12(19)9-6-13-7-14-11(9)18/h1-7,17H,(H,16,19)(H,13,14,18)
InChIKeyZYBSUOKMKAZHNV-UHFFFAOYSA-N
XLogP0.24
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
CID 137104191
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-hydroxyphenyl)methylideneamino]-2-(methylamino)benzamide
CID 3596715
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 139163644
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
CID 135492206
4-bromo-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135511246
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3470891
4-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135442983
3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
N-(benzylideneamino)-1H-imidazole-5-carboxamide
CID 1497211

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide (CID 3641500) is N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NN=Cc1ccccc1O)c1cnc[nH]c1=O.
What is the InChIKey of N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZYBSUOKMKAZHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c17-10-4-2-1-3-8(10)5-15-16-12(19)9-6-13-7-14-11(9)18/h1-7,17H,(H,16,19)(H,13,14,18).
What are the key properties of N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3641500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).