3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one

C12H19N3O — CID 134211371

IUPAC3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one
SMILESCc1nccc(=O)n1C1CCN(C)C(C)C1
InChIInChI=1S/C12H19N3O/c1-9-8-11(5-7-14(9)3)15-10(2)13-6-4-12(15)16/h4,6,9,11H,5,7-8H2,1-3H3
InChIKeyWOUFZKUDAONJCB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.21
Rot. Bonds1

About 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one

3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one (PubChem CID 134211371) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one
PubChem CID134211371
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one
SMILESCc1nccc(=O)n1C1CCN(C)C(C)C1
InChIInChI=1S/C12H19N3O/c1-9-8-11(5-7-14(9)3)15-10(2)13-6-4-12(15)16/h4,6,9,11H,5,7-8H2,1-3H3
InChIKeyWOUFZKUDAONJCB-UHFFFAOYSA-N
XLogP1.21
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one?
The IUPAC name of 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one (CID 134211371) is 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one.
What is the SMILES notation for 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one?
The canonical SMILES for 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one is Cc1nccc(=O)n1C1CCN(C)C(C)C1.
What is the InChIKey of 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one?
The InChIKey is WOUFZKUDAONJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-8-11(5-7-14(9)3)15-10(2)13-6-4-12(15)16/h4,6,9,11H,5,7-8H2,1-3H3.
What are the key properties of 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one?
3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylpiperidin-4-yl)-2-methylpyrimidin-4-one is sourced from PubChem (CID 134211371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).