2-(2-phenylacetyl)pyrimidine-4-carbohydrazide

C13H12N4O2 — CID 174529250

IUPAC2-(2-phenylacetyl)pyrimidine-4-carbohydrazide
SMILESNNC(=O)c1ccnc(C(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H12N4O2/c14-17-13(19)10-6-7-15-12(16-10)11(18)8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H,17,19)
InChIKeyUJJYLSKASSZJGZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP0.51
Rot. Bonds4

About 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide

2-(2-phenylacetyl)pyrimidine-4-carbohydrazide (PubChem CID 174529250) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide.

Molecular Properties

Compound Name2-(2-phenylacetyl)pyrimidine-4-carbohydrazide
PubChem CID174529250
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name2-(2-phenylacetyl)pyrimidine-4-carbohydrazide
SMILESNNC(=O)c1ccnc(C(=O)Cc2ccccc2)n1
InChIInChI=1S/C13H12N4O2/c14-17-13(19)10-6-7-15-12(16-10)11(18)8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H,17,19)
InChIKeyUJJYLSKASSZJGZ-UHFFFAOYSA-N
XLogP0.51
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-isoquinolin-3-yl-2-phenylethanone
CID 15828622
4-(4-aminophenoxy)-3-(2-phenylacetyl)pyridine-2-carbohydrazide
CID 141370087
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-(4-iodophenyl)-1-pyrimidin-2-ylethanone
CID 65478705
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
N-[[amino(pyridin-2-yl)methylidene]amino]-2-phenylacetamide
CID 4749358
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109303665
methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 99803493
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
2-phenyl-N-pyrimidin-2-ylacetamide
CID 3423290
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N'-[(2-hydroxyphenyl)methyl]pyrimidine-2-carbohydrazide
CID 10444498

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide?
The IUPAC name of 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide (CID 174529250) is 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide.
What is the SMILES notation for 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide?
The canonical SMILES for 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide is NNC(=O)c1ccnc(C(=O)Cc2ccccc2)n1.
What is the InChIKey of 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide?
The InChIKey is UJJYLSKASSZJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-17-13(19)10-6-7-15-12(16-10)11(18)8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H,17,19).
What are the key properties of 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide?
2-(2-phenylacetyl)pyrimidine-4-carbohydrazide has a molecular weight of 256.27 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylacetyl)pyrimidine-4-carbohydrazide is sourced from PubChem (CID 174529250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).