4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one

C10H12N2O — CID 143553883

IUPAC4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
SMILESC=Cc1nc(CC)[nH]c(=O)c1C=C
InChIInChI=1S/C10H12N2O/c1-4-7-8(5-2)11-9(6-3)12-10(7)13/h4-5H,1-2,6H2,3H3,(H,11,12,13)
InChIKeyRWWOWJIFBPCVIC-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.62
Rot. Bonds3

About 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one

4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 143553883) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
PubChem CID143553883
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
SMILESC=Cc1nc(CC)[nH]c(=O)c1C=C
InChIInChI=1S/C10H12N2O/c1-4-7-8(5-2)11-9(6-3)12-10(7)13/h4-5H,1-2,6H2,3H3,(H,11,12,13)
InChIKeyRWWOWJIFBPCVIC-UHFFFAOYSA-N
XLogP1.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one (CID 143553883) is 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one is C=Cc1nc(CC)[nH]c(=O)c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is RWWOWJIFBPCVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-7-8(5-2)11-9(6-3)12-10(7)13/h4-5H,1-2,6H2,3H3,(H,11,12,13).
What are the key properties of 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one?
4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 176.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 143553883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).