N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide

C13H12N4O2 — CID 155520432

IUPACN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ncccn2)c(O)c1
InChIInChI=1S/C13H12N4O2/c1-9-3-4-10(11(18)7-9)8-16-17-13(19)12-14-5-2-6-15-12/h2-8,18H,1H3,(H,17,19)/b16-8+
InChIKeyWYCHONHVISBGEE-LZYBPNLTSA-N
MW256.26 g/mol
LogP1.25
Rot. Bonds3

About N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide

N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide (PubChem CID 155520432) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide
PubChem CID155520432
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2ncccn2)c(O)c1
InChIInChI=1S/C13H12N4O2/c1-9-3-4-10(11(18)7-9)8-16-17-13(19)12-14-5-2-6-15-12/h2-8,18H,1H3,(H,17,19)/b16-8+
InChIKeyWYCHONHVISBGEE-LZYBPNLTSA-N
XLogP1.25
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide (CID 155520432) is N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide is Cc1ccc(/C=N/NC(=O)c2ncccn2)c(O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide?
The InChIKey is WYCHONHVISBGEE-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-9-3-4-10(11(18)7-9)8-16-17-13(19)12-14-5-2-6-15-12/h2-8,18H,1H3,(H,17,19)/b16-8+.
What are the key properties of N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide?
N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-4-methylphenyl)methylideneamino]pyrimidine-2-carboxamide is sourced from PubChem (CID 155520432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).