3-[4-(propylamino)butyl]pyrimidin-4-one

C11H19N3O — CID 63795263

IUPAC3-[4-(propylamino)butyl]pyrimidin-4-one
SMILESCCCNCCCCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-2-6-12-7-3-4-9-14-10-13-8-5-11(14)15/h5,8,10,12H,2-4,6-7,9H2,1H3
InChIKeyBUUVBIXSHMKWMN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds7

About 3-[4-(propylamino)butyl]pyrimidin-4-one

3-[4-(propylamino)butyl]pyrimidin-4-one (PubChem CID 63795263) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[4-(propylamino)butyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(propylamino)butyl]pyrimidin-4-one
PubChem CID63795263
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[4-(propylamino)butyl]pyrimidin-4-one
SMILESCCCNCCCCn1cnccc1=O
InChIInChI=1S/C11H19N3O/c1-2-6-12-7-3-4-9-14-10-13-8-5-11(14)15/h5,8,10,12H,2-4,6-7,9H2,1H3
InChIKeyBUUVBIXSHMKWMN-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(propylamino)butyl]pyrimidin-4-one?
The IUPAC name of 3-[4-(propylamino)butyl]pyrimidin-4-one (CID 63795263) is 3-[4-(propylamino)butyl]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(propylamino)butyl]pyrimidin-4-one?
The canonical SMILES for 3-[4-(propylamino)butyl]pyrimidin-4-one is CCCNCCCCn1cnccc1=O.
What is the InChIKey of 3-[4-(propylamino)butyl]pyrimidin-4-one?
The InChIKey is BUUVBIXSHMKWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-6-12-7-3-4-9-14-10-13-8-5-11(14)15/h5,8,10,12H,2-4,6-7,9H2,1H3.
What are the key properties of 3-[4-(propylamino)butyl]pyrimidin-4-one?
3-[4-(propylamino)butyl]pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(propylamino)butyl]pyrimidin-4-one is sourced from PubChem (CID 63795263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).