5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O — CID 84675424

IUPAC5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cnc(CC2CCCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)6-9-4-2-3-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyWTEHJGUILGRLOP-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.76
Rot. Bonds2

About 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84675424) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84675424
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cnc(CC2CCCCN2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)6-9-4-2-3-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyWTEHJGUILGRLOP-UHFFFAOYSA-N
XLogP0.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
5-ethyl-2-(1-piperidin-4-ylpyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 169149103
5-methyl-6-oxo-1H-pyrimidin-2-olate;2,3,4,6,7,8,9,10-octahydro-1H-pyrimido[1,2-a]azepin-5-ium
CID 11242913
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-Iodo-2-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66340494
1,3,6-Trimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-1-ium
CID 71441681
2-methyl-5-piperidin-2-yl-1H-pyrimidin-6-one
CID 82401864
3-(Aminomethyl)-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878479
2-cyclohexyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84130400
2-(2-aminopropyl)-5-methyl-1H-pyrimidin-6-one
CID 84652721
5-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 84664921
5-methyl-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 84664922

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 84675424) is 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is Cc1cnc(CC2CCCCN2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is WTEHJGUILGRLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)6-9-4-2-3-5-12-9/h7,9,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84675424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).