5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one

C10H11BrN2O — CID 174278906

IUPAC5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
SMILESC=Cc1nc(C)c(Br)c(=O)n1/C=C\C
InChIInChI=1S/C10H11BrN2O/c1-4-6-13-8(5-2)12-7(3)9(11)10(13)14/h4-6H,2H2,1,3H3/b6-4-
InChIKeyDFVRRQDWCJWAJU-XQRVVYSFSA-N
MW255.11 g/mol
LogP2.45
Rot. Bonds2

About 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one

5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one (PubChem CID 174278906) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
PubChem CID174278906
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
SMILESC=Cc1nc(C)c(Br)c(=O)n1/C=C\C
InChIInChI=1S/C10H11BrN2O/c1-4-6-13-8(5-2)12-7(3)9(11)10(13)14/h4-6H,2H2,1,3H3/b6-4-
InChIKeyDFVRRQDWCJWAJU-XQRVVYSFSA-N
XLogP2.45
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
7-Bromo-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291525
3-bromo-2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 68854792
3-Bromo-4h-pyrido[1,2-a]pyrimidin-4-one
CID 291523
3-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 291524
3-Bromo-7-chloro-2-(2-methylprop-1-enyl)pyrido[1,2-a]pyrimidin-4-one
CID 135039000
3-Bromo-7-fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 84708942
3-Bromo-2-(fluoromethyl)-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 158831693
3-Bromo-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 354086
7-bromo-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one hydrochloride
CID 5342811
4(3H)-Pyrimidinone, 3-ethyl-2,6-dimethyl-
CID 592279
7-Bromo-4-methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 11287874

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one (CID 174278906) is 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one is C=Cc1nc(C)c(Br)c(=O)n1/C=C\C.
What is the InChIKey of 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
The InChIKey is DFVRRQDWCJWAJU-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-4-6-13-8(5-2)12-7(3)9(11)10(13)14/h4-6H,2H2,1,3H3/b6-4-.
What are the key properties of 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one?
5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one has a molecular weight of 255.11 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one is sourced from PubChem (CID 174278906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).