6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one

C11H19N3O — CID 61387829

IUPAC6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNCCCn1cnc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-9-13-10(2)8-11(14)15/h8-9,12H,3-7H2,1-2H3
InChIKeyFUGRADWAAQVHQV-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds6

About 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one

6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one (PubChem CID 61387829) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one
PubChem CID61387829
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNCCCn1cnc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-9-13-10(2)8-11(14)15/h8-9,12H,3-7H2,1-2H3
InChIKeyFUGRADWAAQVHQV-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
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 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one (CID 61387829) is 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one is CCCNCCCn1cnc(C)cc1=O.
What is the InChIKey of 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one?
The InChIKey is FUGRADWAAQVHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-9-13-10(2)8-11(14)15/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one?
6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 61387829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).