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

C12H19N3O — CID 83858521

IUPAC6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one
SMILESCc1cc(CCC2CCNCC2)nc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-9-8-11(15-12(16)14-9)3-2-10-4-6-13-7-5-10/h8,10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyCOHBRFQEEDTUOM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.01
Rot. Bonds3

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

6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one (PubChem CID 83858521) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one
PubChem CID83858521
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one
SMILESCc1cc(CCC2CCNCC2)nc(=O)[nH]1
InChIInChI=1S/C12H19N3O/c1-9-8-11(15-12(16)14-9)3-2-10-4-6-13-7-5-10/h8,10,13H,2-7H2,1H3,(H,14,15,16)
InChIKeyCOHBRFQEEDTUOM-UHFFFAOYSA-N
XLogP1.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one
CID 82473059
4-[2-(cyclopropylamino)ethyl]-6-methyl-1H-pyrimidin-2-one
CID 82469025
4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidine
CID 67753697
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
4-(2-amino-2-methylpropyl)-6-methyl-1H-pyrimidin-2-one
CID 83858524
6-methyl-4-(methylaminomethyl)-1H-pyrimidin-2-one
CID 82467833
2,6-dimethyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 63768677
3-(2-piperidin-4-ylethyl)-1,2-oxazol-5-amine
CID 83847589
7-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054678
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
4-(2-cyclopentylethyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025477
8-(2-piperidin-4-ylethyl)-3,7-dihydropurine-2,6-dione
CID 114402403

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one (CID 83858521) is 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one is Cc1cc(CCC2CCNCC2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one?
The InChIKey is COHBRFQEEDTUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-8-11(15-12(16)14-9)3-2-10-4-6-13-7-5-10/h8,10,13H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one?
6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2-piperidin-4-ylethyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83858521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).