1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one

C11H17N3O — CID 63206027

IUPAC1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCCNC2CC2)c1
InChIInChI=1S/C11H17N3O/c1-9-7-13-11(15)14(8-9)6-2-5-12-10-3-4-10/h7-8,10,12H,2-6H2,1H3
InChIKeyGOCKWGLHCPFCJG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.69
Rot. Bonds5

About 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one

1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one (PubChem CID 63206027) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one
PubChem CID63206027
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one
SMILESCc1cnc(=O)n(CCCNC2CC2)c1
InChIInChI=1S/C11H17N3O/c1-9-7-13-11(15)14(8-9)6-2-5-12-10-3-4-10/h7-8,10,12H,2-6H2,1H3
InChIKeyGOCKWGLHCPFCJG-UHFFFAOYSA-N
XLogP0.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.69
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 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one (CID 63206027) is 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one is Cc1cnc(=O)n(CCCNC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one?
The InChIKey is GOCKWGLHCPFCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-7-13-11(15)14(8-9)6-2-5-12-10-3-4-10/h7-8,10,12H,2-6H2,1H3.
What are the key properties of 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one?
1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).