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

C11H14BrClN2O — CID 143734142

IUPAC5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
SMILESC=Cc1nc(Cl)c(Br)c(=O)n1/C=C\C.CC
InChIInChI=1S/C9H8BrClN2O.C2H6/c1-3-5-13-6(4-2)12-8(11)7(10)9(13)14;1-2/h3-5H,2H2,1H3;1-2H3/b5-3-;
InChIKeyRPSKXVIZPSPSPH-FBZPGIPVSA-N
MW305.60 g/mol
LogP3.82
Rot. Bonds2

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

5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane (PubChem CID 143734142) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
PubChem CID143734142
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
SMILESC=Cc1nc(Cl)c(Br)c(=O)n1/C=C\C.CC
InChIInChI=1S/C9H8BrClN2O.C2H6/c1-3-5-13-6(4-2)12-8(11)7(10)9(13)14;1-2/h3-5H,2H2,1H3;1-2H3/b5-3-;
InChIKeyRPSKXVIZPSPSPH-FBZPGIPVSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-chloro-4H-pyrido(1,2-a)pyrimidin-4-one
CID 3614131
3-Bromo-2-chloro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 291531
9-bromo-7-chloro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 58430722
3-Bromo-7-chloro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 67549889
3-Bromo-2-chloropyrido[1,2-a]pyrimidin-4-one;ethane
CID 91266247
6-Chloro-2-ethenyl-3-ethylpyrimidin-4-one
CID 118490029
5-bromo-2-ethenyl-6-hydroxy-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane
CID 143734144
N-[C,N-bis(ethenyl)carbonimidoyl]-N-[(1E)-2-bromobuta-1,3-dienyl]acetamide
CID 155091783
3-Bromo-2,7-dichloropyrido[1,2-a]pyrimidin-4-one
CID 170701497
5-bromo-2-ethenyl-6-methyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one
CID 174278906
2-(Dimethylamino)-7-bromo-5-hydropyridino[1,2-a]pyrimidin-4-one
CID 4677520
5-Bromo-3-but-3-enyl-2-methylpyrimidin-4-one
CID 66308805

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane?
The IUPAC name of 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane (CID 143734142) is 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane.
What is the SMILES notation for 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane?
The canonical SMILES for 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane is C=Cc1nc(Cl)c(Br)c(=O)n1/C=C\C.CC.
What is the InChIKey of 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane?
The InChIKey is RPSKXVIZPSPSPH-FBZPGIPVSA-N. The full InChI is InChI=1S/C9H8BrClN2O.C2H6/c1-3-5-13-6(4-2)12-8(11)7(10)9(13)14;1-2/h3-5H,2H2,1H3;1-2H3/b5-3-;.
What are the key properties of 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane?
5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane has a molecular weight of 305.60 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-2-ethenyl-3-[(Z)-prop-1-enyl]pyrimidin-4-one;ethane is sourced from PubChem (CID 143734142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).