3-[5-(propylamino)hexyl]pyrimidin-4-one

C13H23N3O — CID 63769003

IUPAC3-[5-(propylamino)hexyl]pyrimidin-4-one
SMILESCCCNC(C)CCCCn1cnccc1=O
InChIInChI=1S/C13H23N3O/c1-3-8-15-12(2)6-4-5-10-16-11-14-9-7-13(16)17/h7,9,11-12,15H,3-6,8,10H2,1-2H3
InChIKeyUSDARFCHJOAYAB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.80
Rot. Bonds8

About 3-[5-(propylamino)hexyl]pyrimidin-4-one

3-[5-(propylamino)hexyl]pyrimidin-4-one (PubChem CID 63769003) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[5-(propylamino)hexyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[5-(propylamino)hexyl]pyrimidin-4-one
PubChem CID63769003
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[5-(propylamino)hexyl]pyrimidin-4-one
SMILESCCCNC(C)CCCCn1cnccc1=O
InChIInChI=1S/C13H23N3O/c1-3-8-15-12(2)6-4-5-10-16-11-14-9-7-13(16)17/h7,9,11-12,15H,3-6,8,10H2,1-2H3
InChIKeyUSDARFCHJOAYAB-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.80
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-[5-(propylamino)hexyl]pyrimidin-4-one?
The IUPAC name of 3-[5-(propylamino)hexyl]pyrimidin-4-one (CID 63769003) is 3-[5-(propylamino)hexyl]pyrimidin-4-one.
What is the SMILES notation for 3-[5-(propylamino)hexyl]pyrimidin-4-one?
The canonical SMILES for 3-[5-(propylamino)hexyl]pyrimidin-4-one is CCCNC(C)CCCCn1cnccc1=O.
What is the InChIKey of 3-[5-(propylamino)hexyl]pyrimidin-4-one?
The InChIKey is USDARFCHJOAYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-8-15-12(2)6-4-5-10-16-11-14-9-7-13(16)17/h7,9,11-12,15H,3-6,8,10H2,1-2H3.
What are the key properties of 3-[5-(propylamino)hexyl]pyrimidin-4-one?
3-[5-(propylamino)hexyl]pyrimidin-4-one has a molecular weight of 237.35 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(propylamino)hexyl]pyrimidin-4-one is sourced from PubChem (CID 63769003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).