2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one

C11H17N3O — CID 57306466

IUPAC2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nccc(=O)[nH]2)NC1C
InChIInChI=1S/C11H17N3O/c1-7-3-4-9(13-8(7)2)11-12-6-5-10(15)14-11/h5-9,13H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyNVXZEPIKPQTUKQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.22
Rot. Bonds1

About 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one

2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one (PubChem CID 57306466) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
PubChem CID57306466
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nccc(=O)[nH]2)NC1C
InChIInChI=1S/C11H17N3O/c1-7-3-4-9(13-8(7)2)11-12-6-5-10(15)14-11/h5-9,13H,3-4H2,1-2H3,(H,12,14,15)
InChIKeyNVXZEPIKPQTUKQ-UHFFFAOYSA-N
XLogP1.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexylpyrimidin-4(3H)-one
CID 13619896
2-(Rac-(1r,4r)-4-aminocyclohexyl)pyrimidin-4-ol dihydrochloride
CID 132342279
2-Piperidin-4-yl-1H-pyrimidin-6-one;dihydrochloride
CID 137971720
2-[(1r,4r)-4-Aminocyclohexyl]pyrimidin-4-ol
CID 82469023
2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 18726934
2-(Piperidin-4-yl)-3,4-dihydropyrimidin-4-one
CID 63362688
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91106069
ethane;2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 91221143
2-(cyclohexylmethyl)-1H-pyrimidin-6-one
CID 126997626
2-(8-azabicyclo[3.2.1]octan-1-yl)-1H-pyrimidin-6-one
CID 174801313
2-(1-Aminocyclohexyl)-1,4-dihydropyrimidin-4-one hydrochloride
CID 54595072
2-(1-Aminocyclohexyl)-1,4-dihydropyrimidin-4-one
CID 54595073

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one (CID 57306466) is 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one is CC1CCC(c2nccc(=O)[nH]2)NC1C.
What is the InChIKey of 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is NVXZEPIKPQTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-3-4-9(13-8(7)2)11-12-6-5-10(15)14-11/h5-9,13H,3-4H2,1-2H3,(H,12,14,15).
What are the key properties of 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one?
2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 207.28 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 57306466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).