6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one

C13H21N3O — CID 30322571

IUPAC6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one
SMILESCCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C13H21N3O/c1-3-7-16-12(17)10-11(2)14-13(16)15-8-5-4-6-9-15/h10H,3-9H2,1-2H3
InChIKeyHSPWKBSAYNDYOY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.95
Rot. Bonds3

About 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one

6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one (PubChem CID 30322571) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one
PubChem CID30322571
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one
SMILESCCCn1c(N2CCCCC2)nc(C)cc1=O
InChIInChI=1S/C13H21N3O/c1-3-7-16-12(17)10-11(2)14-13(16)15-8-5-4-6-9-15/h10H,3-9H2,1-2H3
InChIKeyHSPWKBSAYNDYOY-UHFFFAOYSA-N
XLogP1.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one?
The IUPAC name of 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one (CID 30322571) is 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one?
The canonical SMILES for 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one is CCCn1c(N2CCCCC2)nc(C)cc1=O.
What is the InChIKey of 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one?
The InChIKey is HSPWKBSAYNDYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-7-16-12(17)10-11(2)14-13(16)15-8-5-4-6-9-15/h10H,3-9H2,1-2H3.
What are the key properties of 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one?
6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-1-yl-3-propylpyrimidin-4-one is sourced from PubChem (CID 30322571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).