2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one

C12H15N3O2 — CID 163428851

IUPAC2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one
SMILESC=C1CCC(n2c(C)nc(C)cc2=O)C(=O)N1
InChIInChI=1S/C12H15N3O2/c1-7-4-5-10(12(17)14-7)15-9(3)13-8(2)6-11(15)16/h6,10H,1,4-5H2,2-3H3,(H,14,17)
InChIKeyAOTSMZVQJAAALY-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.82
Rot. Bonds1

About 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one

2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one (PubChem CID 163428851) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one
PubChem CID163428851
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one
SMILESC=C1CCC(n2c(C)nc(C)cc2=O)C(=O)N1
InChIInChI=1S/C12H15N3O2/c1-7-4-5-10(12(17)14-7)15-9(3)13-8(2)6-11(15)16/h6,10H,1,4-5H2,2-3H3,(H,14,17)
InChIKeyAOTSMZVQJAAALY-UHFFFAOYSA-N
XLogP0.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-3-piperidin-3-ylpyrimidin-4-one
CID 126857734
N'-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]decanediamide
CID 153393708
3-(1,3-dihydroisoindol-2-yl)-6-methylidenepiperidin-2-one
CID 170009468
(3E,4E)-3,4-di(ethylidene)-1-[(3R)-6-methylidene-2-oxopiperidin-3-yl]pyrrolidine-2,5-dione;ethane
CID 163267583
3-[(3R)-6-methylidene-2-oxopiperidin-3-yl]-6-propan-2-yl-1,3-benzoxazol-2-one;molecular hydrogen
CID 160638282
5-fluoro-3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one
CID 170079780
1-(3-chloro-4-methylphenyl)-3-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxothieno[2,3-d]pyrimidin-5-yl]methyl]urea
CID 161491830
4-methyl-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 145202026
(3R)-3-(6,8-dichloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 86345042
3-(7-chloro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235872
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one?
The IUPAC name of 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one (CID 163428851) is 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one.
What is the SMILES notation for 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one?
The canonical SMILES for 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one is C=C1CCC(n2c(C)nc(C)cc2=O)C(=O)N1.
What is the InChIKey of 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one?
The InChIKey is AOTSMZVQJAAALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-4-5-10(12(17)14-7)15-9(3)13-8(2)6-11(15)16/h6,10H,1,4-5H2,2-3H3,(H,14,17).
What are the key properties of 2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one?
2,6-dimethyl-3-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.82, 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-(6-methylidene-2-oxopiperidin-3-yl)pyrimidin-4-one is sourced from PubChem (CID 163428851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).