2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane

C11H16N2O — CID 156748854

IUPAC2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane
SMILESC=Cc1nc(C)cc(=O)n1C=C.CC
InChIInChI=1S/C9H10N2O.C2H6/c1-4-8-10-7(3)6-9(12)11(8)5-2;1-2/h4-6H,1-2H2,3H3;1-2H3
InChIKeyINJFCLBTYIFKML-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.32
Rot. Bonds2

About 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane

2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane (PubChem CID 156748854) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane
PubChem CID156748854
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane
SMILESC=Cc1nc(C)cc(=O)n1C=C.CC
InChIInChI=1S/C9H10N2O.C2H6/c1-4-8-10-7(3)6-9(12)11(8)5-2;1-2/h4-6H,1-2H2,3H3;1-2H3
InChIKeyINJFCLBTYIFKML-UHFFFAOYSA-N
XLogP2.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
4-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 594758
6-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529103
4(3H)-Pyrimidinone, 2,3,6-trimethyl-
CID 544953
3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1359737
7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231819
3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
6-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 21766687
7-Fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 130051210
4H-Pyrido[1,2-a]pyrimidin-4-one, 2,3-dimethyl
CID 523984
4(3H)-Pyrimidinone, 2-ethyl-3,6-dimethyl-
CID 551082

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane?
The IUPAC name of 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane (CID 156748854) is 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane is C=Cc1nc(C)cc(=O)n1C=C.CC.
What is the InChIKey of 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane?
The InChIKey is INJFCLBTYIFKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.C2H6/c1-4-8-10-7(3)6-9(12)11(8)5-2;1-2/h4-6H,1-2H2,3H3;1-2H3.
What are the key properties of 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane?
2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane has a molecular weight of 192.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-6-methylpyrimidin-4-one;ethane is sourced from PubChem (CID 156748854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).