2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one

C11H11N5O — CID 137186661

IUPAC2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one
SMILESNc1nc(NN=Cc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H11N5O/c12-11-14-9(6-10(17)15-11)16-13-7-8-4-2-1-3-5-8/h1-7H,(H4,12,14,15,16,17)
InChIKeyQNGNLHMGZIVFQM-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.80
Rot. Bonds3

About 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one

2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one (PubChem CID 137186661) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one
PubChem CID137186661
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one
SMILESNc1nc(NN=Cc2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C11H11N5O/c12-11-14-9(6-10(17)15-11)16-13-7-8-4-2-1-3-5-8/h1-7H,(H4,12,14,15,16,17)
InChIKeyQNGNLHMGZIVFQM-UHFFFAOYSA-N
XLogP0.80
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-amino-4-(2-phenylethenyl)-1H-pyrimidin-6-one
CID 137217157
2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135893842
N-(benzylideneamino)isoquinolin-3-amine
CID 85439372
2-amino-4-(3,4-difluoroanilino)-1H-pyrimidin-6-one
CID 135465852
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136791126
2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one
CID 135512459
N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine
CID 6286476
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136932712
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732929
2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733007
2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732974

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one (CID 137186661) is 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one is Nc1nc(NN=Cc2ccccc2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one?
The InChIKey is QNGNLHMGZIVFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-11-14-9(6-10(17)15-11)16-13-7-8-4-2-1-3-5-8/h1-7H,(H4,12,14,15,16,17).
What are the key properties of 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one?
2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one has a molecular weight of 229.24 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137186661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).