2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide

C12H13N5O2 — CID 100514526

IUPAC2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide
SMILESNNC(=O)c1cnc(NCc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H13N5O2/c13-17-11(19)9-7-15-12(16-10(9)18)14-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H,17,19)(H2,14,15,16,18)
InChIKeyXZNNVOQGCSGNMJ-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.01
Rot. Bonds4

About 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide

2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide (PubChem CID 100514526) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide.

Molecular Properties

Compound Name2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide
PubChem CID100514526
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide
SMILESNNC(=O)c1cnc(NCc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H13N5O2/c13-17-11(19)9-7-15-12(16-10(9)18)14-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H,17,19)(H2,14,15,16,18)
InChIKeyXZNNVOQGCSGNMJ-UHFFFAOYSA-N
XLogP-0.01
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
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

6-amino-3-(benzylamino)-4H-1,2,4-triazin-5-one
CID 136701605
4-amino-2-(benzylamino)-5-nitroso-1H-pyrimidin-6-one
CID 137267829
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
6-oxo-2-(3-phenylpropyl)-1H-pyrimidine-5-carboxylic acid
CID 82168303
4-(benzylamino)-2-phenylpyrimidine-5-carboxylic acid
CID 20562052
bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
N-benzyl-2H-triazole-4-carboxamide
CID 47334751
2-(benzylamino)-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one
CID 136965871
5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
N-[5-(benzylamino)-2-pyridinyl]benzamide
CID 113026368
N-benzyl-6-hydrazinylpyridin-3-amine
CID 82054997

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide?
The IUPAC name of 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide (CID 100514526) is 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide.
What is the SMILES notation for 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide?
The canonical SMILES for 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide is NNC(=O)c1cnc(NCc2ccccc2)[nH]c1=O.
What is the InChIKey of 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide?
The InChIKey is XZNNVOQGCSGNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-17-11(19)9-7-15-12(16-10(9)18)14-6-8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H,17,19)(H2,14,15,16,18).
What are the key properties of 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide?
2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide has a molecular weight of 259.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-oxo-1H-pyrimidine-5-carbohydrazide is sourced from PubChem (CID 100514526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).