2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one

C16H25N5O — CID 136953189

IUPAC2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCCN(C)C2)nc(CC2CCC2)[nH]c1=O
InChIInChI=1S/C16H25N5O/c1-21-7-3-6-12(10-21)18-15-13(9-17)16(22)20-14(19-15)8-11-4-2-5-11/h9,11-12,17H,2-8,10H2,1H3,(H2,18,19,20,22)/b17-9+
InChIKeyIJELPOMOCLOXDQ-RQZCQDPDSA-N
MW303.41 g/mol
LogP1.62
Rot. Bonds5

About 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one

2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136953189) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136953189
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCCN(C)C2)nc(CC2CCC2)[nH]c1=O
InChIInChI=1S/C16H25N5O/c1-21-7-3-6-12(10-21)18-15-13(9-17)16(22)20-14(19-15)8-11-4-2-5-11/h9,11-12,17H,2-8,10H2,1H3,(H2,18,19,20,22)/b17-9+
InChIKeyIJELPOMOCLOXDQ-RQZCQDPDSA-N
XLogP1.62
TPSA84.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-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-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136953189) is 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one is [H]/N=C/c1c(NC2CCCN(C)C2)nc(CC2CCC2)[nH]c1=O.
What is the InChIKey of 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is IJELPOMOCLOXDQ-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H25N5O/c1-21-7-3-6-12(10-21)18-15-13(9-17)16(22)20-14(19-15)8-11-4-2-5-11/h9,11-12,17H,2-8,10H2,1H3,(H2,18,19,20,22)/b17-9+.
What are the key properties of 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one?
2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 303.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136953189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).