1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one

C16H25N9O — CID 86298201

IUPAC1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one
SMILESCCCNNc1nc(NC)c2nc(N3CCC(=O)CC3)nc(NC)c2n1
InChIInChI=1S/C16H25N9O/c1-4-7-19-24-15-20-11-12(13(17-2)22-15)21-16(23-14(11)18-3)25-8-5-10(26)6-9-25/h19H,4-9H2,1-3H3,(H,18,21,23)(H2,17,20,22,24)
InChIKeyOXAURISHUYUMEN-UHFFFAOYSA-N
MW359.44 g/mol
LogP1.00
Rot. Bonds7

About 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one

1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one (PubChem CID 86298201) has the molecular formula C16H25N9O and a molecular weight of 359.44 g/mol. Its IUPAC name is 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one
PubChem CID86298201
Molecular FormulaC16H25N9O
Molecular Weight359.44 g/mol
Exact Mass359.22
IUPAC Name1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one
SMILESCCCNNc1nc(NC)c2nc(N3CCC(=O)CC3)nc(NC)c2n1
InChIInChI=1S/C16H25N9O/c1-4-7-19-24-15-20-11-12(13(17-2)22-15)21-16(23-14(11)18-3)25-8-5-10(26)6-9-25/h19H,4-9H2,1-3H3,(H,18,21,23)(H2,17,20,22,24)
InChIKeyOXAURISHUYUMEN-UHFFFAOYSA-N
XLogP1.00
TPSA119.99 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-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 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one?
The IUPAC name of 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one (CID 86298201) is 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one?
The canonical SMILES for 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one is CCCNNc1nc(NC)c2nc(N3CCC(=O)CC3)nc(NC)c2n1.
What is the InChIKey of 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one?
The InChIKey is OXAURISHUYUMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N9O/c1-4-7-19-24-15-20-11-12(13(17-2)22-15)21-16(23-14(11)18-3)25-8-5-10(26)6-9-25/h19H,4-9H2,1-3H3,(H,18,21,23)(H2,17,20,22,24).
What are the key properties of 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one?
1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one has a molecular weight of 359.44 g/mol, XLogP of 1.00, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,8-bis(methylamino)-6-(2-propylhydrazinyl)pyrimido[5,4-d]pyrimidin-2-yl]piperidin-4-one is sourced from PubChem (CID 86298201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).