2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one

C12H19N3O — CID 134211368

IUPAC2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one
SMILESCc1nc(C)n(C)c(=O)c1C1CCNCC1
InChIInChI=1S/C12H19N3O/c1-8-11(10-4-6-13-7-5-10)12(16)15(3)9(2)14-8/h10,13H,4-7H2,1-3H3
InChIKeyZIOTYPDZVMDNFA-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.86
Rot. Bonds1

About 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one

2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one (PubChem CID 134211368) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one
PubChem CID134211368
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one
SMILESCc1nc(C)n(C)c(=O)c1C1CCNCC1
InChIInChI=1S/C12H19N3O/c1-8-11(10-4-6-13-7-5-10)12(16)15(3)9(2)14-8/h10,13H,4-7H2,1-3H3
InChIKeyZIOTYPDZVMDNFA-UHFFFAOYSA-N
XLogP0.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
11-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081393
3-Ethyl-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154699920
3-Ethyl-2,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14274965
2-(1-Fluoroethyl)-3-piperidin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 89740546
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one dihydrochloride
CID 72942019
5-[3-[3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136535732
2-(2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-yl)ethylazanium dichloride
CID 164512389
2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(5-methylhexan-2-yl)propanamide
CID 136080807
2-(cyclopropylmethyl)-7-[(1-ethyl-4-piperidinyl)acetyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217014
2-Methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 20789435

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one?
The IUPAC name of 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one (CID 134211368) is 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one is Cc1nc(C)n(C)c(=O)c1C1CCNCC1.
What is the InChIKey of 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one?
The InChIKey is ZIOTYPDZVMDNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-11(10-4-6-13-7-5-10)12(16)15(3)9(2)14-8/h10,13H,4-7H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one?
2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-5-piperidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 134211368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).