N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide

C12H10N4O3 — CID 155541915

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ncccn1
InChIInChI=1S/C12H10N4O3/c17-9-3-2-8(10(18)6-9)7-15-16-12(19)11-13-4-1-5-14-11/h1-7,17-18H,(H,16,19)/b15-7+
InChIKeyAMODWOLZELYXKF-VIZOYTHASA-N
MW258.24 g/mol
LogP0.65
Rot. Bonds3

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide (PubChem CID 155541915) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
PubChem CID155541915
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)c1ncccn1
InChIInChI=1S/C12H10N4O3/c17-9-3-2-8(10(18)6-9)7-15-16-12(19)11-13-4-1-5-14-11/h1-7,17-18H,(H,16,19)/b15-7+
InChIKeyAMODWOLZELYXKF-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': 'hzone_phenol_B(215)', '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

4-[(6-Chloro-2-methyl-pyrimidin-4-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135536449
4-[(E)-[(5-Bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135421695
2-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]phenol
CID 137225103
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
CID 155519061
N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide
CID 155520432
N-[(E)-(2-hydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
CID 155531116
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
CID 155554588
5-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
CID 177646996
5-bromo-N-[(E)-(4-bromo-2-hydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
CID 177647703
4-[[(5-Bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 2841982
4-[[(6-Chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3099279
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-(pyrimidin-2-ylsulfanyl)acetohydrazide
CID 135470863

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide (CID 155541915) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)c1ncccn1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide?
The InChIKey is AMODWOLZELYXKF-VIZOYTHASA-N. The full InChI is InChI=1S/C12H10N4O3/c17-9-3-2-8(10(18)6-9)7-15-16-12(19)11-13-4-1-5-14-11/h1-7,17-18H,(H,16,19)/b15-7+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide?
N-[(E)-(2,4-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)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide is sourced from PubChem (CID 155541915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).