1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one

C11H19N3O — CID 62562763

IUPAC1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one
SMILESCC(C)NCCCCn1cccnc1=O
InChIInChI=1S/C11H19N3O/c1-10(2)12-6-3-4-8-14-9-5-7-13-11(14)15/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyYAYAMXIKBXQUKS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds6

About 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one

1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one (PubChem CID 62562763) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one
PubChem CID62562763
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one
SMILESCC(C)NCCCCn1cccnc1=O
InChIInChI=1S/C11H19N3O/c1-10(2)12-6-3-4-8-14-9-5-7-13-11(14)15/h5,7,9-10,12H,3-4,6,8H2,1-2H3
InChIKeyYAYAMXIKBXQUKS-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-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-(propan-2-ylamino)butyl]pyrimidin-2-one?
The IUPAC name of 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one (CID 62562763) is 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one.
What is the SMILES notation for 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one?
The canonical SMILES for 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one is CC(C)NCCCCn1cccnc1=O.
What is the InChIKey of 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one?
The InChIKey is YAYAMXIKBXQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)12-6-3-4-8-14-9-5-7-13-11(14)15/h5,7,9-10,12H,3-4,6,8H2,1-2H3.
What are the key properties of 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one?
1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(propan-2-ylamino)butyl]pyrimidin-2-one is sourced from PubChem (CID 62562763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).