5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one

C11H19N3O — CID 63205984

IUPAC5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one
SMILESCCCNCCCn1cc(C)cnc1=O
InChIInChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-9-10(2)8-13-11(14)15/h8-9,12H,3-7H2,1-2H3
InChIKeySBZKXNKYCKOOLX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds6

About 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one

5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one (PubChem CID 63205984) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one.

Molecular Properties

Compound Name5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one
PubChem CID63205984
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one
SMILESCCCNCCCn1cc(C)cnc1=O
InChIInChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-9-10(2)8-13-11(14)15/h8-9,12H,3-7H2,1-2H3
InChIKeySBZKXNKYCKOOLX-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 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one?
The IUPAC name of 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one (CID 63205984) is 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one.
What is the SMILES notation for 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one?
The canonical SMILES for 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one is CCCNCCCn1cc(C)cnc1=O.
What is the InChIKey of 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one?
The InChIKey is SBZKXNKYCKOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-5-12-6-4-7-14-9-10(2)8-13-11(14)15/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one?
5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-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 5-methyl-1-[3-(propylamino)propyl]pyrimidin-2-one is sourced from PubChem (CID 63205984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).