N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide

C12H10N4O3 — CID 155554588

IUPACN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1ncccn1
InChIInChI=1S/C12H10N4O3/c17-9-4-1-3-8(10(9)18)7-15-16-12(19)11-13-5-2-6-14-11/h1-7,17-18H,(H,16,19)/b15-7+
InChIKeyYPDCWZSCKUQBCS-VIZOYTHASA-N
MW258.24 g/mol
LogP0.65
Rot. Bonds3

About N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide

N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide (PubChem CID 155554588) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
PubChem CID155554588
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1O)c1ncccn1
InChIInChI=1S/C12H10N4O3/c17-9-4-1-3-8(10(9)18)7-15-16-12(19)11-13-5-2-6-14-11/h1-7,17-18H,(H,16,19)/b15-7+
InChIKeyYPDCWZSCKUQBCS-VIZOYTHASA-N
XLogP0.65
TPSA107.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide?
The IUPAC name of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide (CID 155554588) is N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide is O=C(N/N=C/c1cccc(O)c1O)c1ncccn1.
What is the InChIKey of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide?
The InChIKey is YPDCWZSCKUQBCS-VIZOYTHASA-N. The full InChI is InChI=1S/C12H10N4O3/c17-9-4-1-3-8(10(9)18)7-15-16-12(19)11-13-5-2-6-14-11/h1-7,17-18H,(H,16,19)/b15-7+.
What are the key properties of N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide?
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide is sourced from PubChem (CID 155554588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).