5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O — CID 84675428

IUPAC5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cnc(CC2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)6-9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyZIXXOFLFIJTOMW-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.62
Rot. Bonds2

About 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one

5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 84675428) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
PubChem CID84675428
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1cnc(CC2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)6-9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyZIXXOFLFIJTOMW-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Piperidin-4-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137971720
2-[(1-phosphanylpiperidin-4-yl)methyl]-1H-pyrimidin-6-one
CID 18726933
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
CID 59473971
2-(Piperidin-4-yl)-3,4-dihydropyrimidin-4-one
CID 63362688
5-(2-oxo-2-piperidin-1-ylethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 90925807
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91106069
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91221143
6-Methyl-2-(piperidin-4-yl)pyrimidin-4-ol
CID 136103185
2-methyl-5-(2-piperidin-4-ylethyl)-1H-pyrimidin-6-one
CID 153979522
2-butyl-5-methyl-1H-pyrimidin-6-one
CID 161634857
8-Methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 170054699

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one (CID 84675428) is 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one is Cc1cnc(CC2CCNCC2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is ZIXXOFLFIJTOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-13-10(14-11(8)15)6-9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one?
5-methyl-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 0.62, 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-4-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84675428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).