2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one

C11H13N5O — CID 135512459

IUPAC2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1ccc(NNc2cc(=O)[nH]c(N)n2)cc1
InChIInChI=1S/C11H13N5O/c1-7-2-4-8(5-3-7)15-16-9-6-10(17)14-11(12)13-9/h2-6,15H,1H3,(H4,12,13,14,16,17)
InChIKeyKFSAPLREGXPQAH-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.10
Rot. Bonds3

About 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one

2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135512459) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135512459
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1ccc(NNc2cc(=O)[nH]c(N)n2)cc1
InChIInChI=1S/C11H13N5O/c1-7-2-4-8(5-3-7)15-16-9-6-10(17)14-11(12)13-9/h2-6,15H,1H3,(H4,12,13,14,16,17)
InChIKeyKFSAPLREGXPQAH-UHFFFAOYSA-N
XLogP1.10
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one (CID 135512459) is 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one is Cc1ccc(NNc2cc(=O)[nH]c(N)n2)cc1.
What is the InChIKey of 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is KFSAPLREGXPQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-2-4-8(5-3-7)15-16-9-6-10(17)14-11(12)13-9/h2-6,15H,1H3,(H4,12,13,14,16,17).
What are the key properties of 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one?
2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 231.26 g/mol, XLogP of 1.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-(4-methylphenyl)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135512459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).