2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one

C15H22N4O2 — CID 136953191

IUPAC2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCCOC2)nc(CC2CCC2)[nH]c1=O
InChIInChI=1S/C15H22N4O2/c16-8-12-14(17-11-5-2-6-21-9-11)18-13(19-15(12)20)7-10-3-1-4-10/h8,10-11,16H,1-7,9H2,(H2,17,18,19,20)/b16-8+
InChIKeySLERZTVTGSHZEU-LZYBPNLTSA-N
MW290.37 g/mol
LogP1.70
Rot. Bonds5

About 2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one

2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136953191) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136953191
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NC2CCCOC2)nc(CC2CCC2)[nH]c1=O
InChIInChI=1S/C15H22N4O2/c16-8-12-14(17-11-5-2-6-21-9-11)18-13(19-15(12)20)7-10-3-1-4-10/h8,10-11,16H,1-7,9H2,(H2,17,18,19,20)/b16-8+
InChIKeySLERZTVTGSHZEU-LZYBPNLTSA-N
XLogP1.70
TPSA90.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.70
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-(oxan-3-ylamino)-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-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one (CID 136953191) is 2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one is [H]/N=C/c1c(NC2CCCOC2)nc(CC2CCC2)[nH]c1=O.
What is the InChIKey of 2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is SLERZTVTGSHZEU-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-8-12-14(17-11-5-2-6-21-9-11)18-13(19-15(12)20)7-10-3-1-4-10/h8,10-11,16H,1-7,9H2,(H2,17,18,19,20)/b16-8+.
What are the key properties of 2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one?
2-(cyclobutylmethyl)-5-methanimidoyl-4-(oxan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 290.37 g/mol, XLogP of 1.70, 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-(oxan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136953191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).