2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one

C11H17N3O — CID 67744616

IUPAC2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCc1nc(N2CCCCC2)cc(=O)n1C
InChIInChI=1S/C11H17N3O/c1-9-12-10(8-11(15)13(9)2)14-6-4-3-5-7-14/h8H,3-7H2,1-2H3
InChIKeyJADVCMYHJAKUFA-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.08
Rot. Bonds1

About 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one

2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one (PubChem CID 67744616) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one
PubChem CID67744616
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCc1nc(N2CCCCC2)cc(=O)n1C
InChIInChI=1S/C11H17N3O/c1-9-12-10(8-11(15)13(9)2)14-6-4-3-5-7-14/h8H,3-7H2,1-2H3
InChIKeyJADVCMYHJAKUFA-UHFFFAOYSA-N
XLogP1.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-6-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-2,4-dione
CID 155942358
2-(3-aminopropyl)-3-methyl-6-pyrrolidin-1-ylpyrimidin-4-one
CID 84699556
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one
CID 15632926
2-(1-aminoethyl)-3-methyl-6-morpholin-4-ylpyrimidin-4-one
CID 84700722
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
2-methyl-6-pyrrolidin-1-ylpyridazin-3-one
CID 130616620
9-bromo-2-piperidin-1-yl-7-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 170971727
[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109363677
[2-(azocan-1-yl)-6-methyl-4-pyridinyl]methanol
CID 113378723
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one (CID 67744616) is 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one is Cc1nc(N2CCCCC2)cc(=O)n1C.
What is the InChIKey of 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one?
The InChIKey is JADVCMYHJAKUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-12-10(8-11(15)13(9)2)14-6-4-3-5-7-14/h8H,3-7H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one?
2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 67744616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).