4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one

C11H17N3O — CID 135500945

IUPAC4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCCC2)[nH]c(=O)c1C
InChIInChI=1S/C11H17N3O/c1-8-9(2)12-11(13-10(8)15)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyROZUMWXOMGQOFT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.38
Rot. Bonds1

About 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one

4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135500945) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID135500945
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCCCC2)[nH]c(=O)c1C
InChIInChI=1S/C11H17N3O/c1-8-9(2)12-11(13-10(8)15)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H,12,13,15)
InChIKeyROZUMWXOMGQOFT-UHFFFAOYSA-N
XLogP1.38
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 135500945) is 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one is Cc1nc(N2CCCCC2)[nH]c(=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is ROZUMWXOMGQOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-9(2)12-11(13-10(8)15)14-6-4-3-5-7-14/h3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135500945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).