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

C13H12N4O3 — CID 136746545

IUPACN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESC/C(=N/NC(=O)c1cnc[nH]c1=O)c1ccccc1O
InChIInChI=1S/C13H12N4O3/c1-8(9-4-2-3-5-11(9)18)16-17-13(20)10-6-14-7-15-12(10)19/h2-7,18H,1H3,(H,17,20)(H,14,15,19)/b16-8-
InChIKeyIRVHELIRCJPAJD-PXNMLYILSA-N
MW272.26 g/mol
LogP0.63
Rot. Bonds3

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

N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136746545) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136746545
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESC/C(=N/NC(=O)c1cnc[nH]c1=O)c1ccccc1O
InChIInChI=1S/C13H12N4O3/c1-8(9-4-2-3-5-11(9)18)16-17-13(20)10-6-14-7-15-12(10)19/h2-7,18H,1H3,(H,17,20)(H,14,15,19)/b16-8-
InChIKeyIRVHELIRCJPAJD-PXNMLYILSA-N
XLogP0.63
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.63
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

2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(2-hydroxyphenyl)methylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide
CID 3641500
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(methylamino)benzamide
CID 136660084
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyrazine-2-carboxamide
CID 135656292
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-methoxybenzamide
CID 144899093
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
2-N,5-N-bis[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-2,5-dicarboxamide
CID 135699182
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide (CID 136746545) is N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide is C/C(=N/NC(=O)c1cnc[nH]c1=O)c1ccccc1O.
What is the InChIKey of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is IRVHELIRCJPAJD-PXNMLYILSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8(9-4-2-3-5-11(9)18)16-17-13(20)10-6-14-7-15-12(10)19/h2-7,18H,1H3,(H,17,20)(H,14,15,19)/b16-8-.
What are the key properties of N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136746545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).