2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one

C11H17N3O — CID 82105214

IUPAC2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one
SMILESCc1cc(=O)n(C2CCNCC2)c(C)n1
InChIInChI=1S/C11H17N3O/c1-8-7-11(15)14(9(2)13-8)10-3-5-12-6-4-10/h7,10,12H,3-6H2,1-2H3
InChIKeyNRBIZIZCLGJHCL-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.78
Rot. Bonds1

About 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one

2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one (PubChem CID 82105214) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one
PubChem CID82105214
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one
SMILESCc1cc(=O)n(C2CCNCC2)c(C)n1
InChIInChI=1S/C11H17N3O/c1-8-7-11(15)14(9(2)13-8)10-3-5-12-6-4-10/h7,10,12H,3-6H2,1-2H3
InChIKeyNRBIZIZCLGJHCL-UHFFFAOYSA-N
XLogP0.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
4H-pyrido(1,2-a)pyrimidin-4-one, 6,7,8,9-tetrahydro-2-methyl-
CID 529095
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136103141
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 136896441
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 137014964
8-Amino-2-(trifluoromethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83895448
4-(difluoromethyl)-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 136171481
2-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one (CID 82105214) is 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one is Cc1cc(=O)n(C2CCNCC2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one?
The InChIKey is NRBIZIZCLGJHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-7-11(15)14(9(2)13-8)10-3-5-12-6-4-10/h7,10,12H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one?
2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-piperidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 82105214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).