2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H16N6O — CID 59723201

IUPAC2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(N)c1-c1nccc(-c2cc3n(n2)CCNC3=O)n1
InChIInChI=1S/C17H16N6O/c1-10-3-2-4-11(18)15(10)16-19-6-5-12(21-16)13-9-14-17(24)20-7-8-23(14)22-13/h2-6,9H,7-8,18H2,1H3,(H,20,24)
InChIKeySWFUEAMLYCKVOA-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.64
Rot. Bonds2

About 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723201) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723201
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cccc(N)c1-c1nccc(-c2cc3n(n2)CCNC3=O)n1
InChIInChI=1S/C17H16N6O/c1-10-3-2-4-11(18)15(10)16-19-6-5-12(21-16)13-9-14-17(24)20-7-8-23(14)22-13/h2-6,9H,7-8,18H2,1H3,(H,20,24)
InChIKeySWFUEAMLYCKVOA-UHFFFAOYSA-N
XLogP1.64
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723201) is 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is Cc1cccc(N)c1-c1nccc(-c2cc3n(n2)CCNC3=O)n1.
What is the InChIKey of 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SWFUEAMLYCKVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-10-3-2-4-11(18)15(10)16-19-6-5-12(21-16)13-9-14-17(24)20-7-8-23(14)22-13/h2-6,9H,7-8,18H2,1H3,(H,20,24).
What are the key properties of 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 320.36 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-6-methylphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).