2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

C20H13BrCl2N4O — CID 5327892

IUPAC2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(Br)c3)nc21
InChIInChI=1S/C20H13BrCl2N4O/c1-27-18-11(8-14(19(27)28)17-15(22)6-3-7-16(17)23)10-24-20(26-18)25-13-5-2-4-12(21)9-13/h2-10H,1H3,(H,24,25,26)
InChIKeyLXANAWKXDMMAQX-UHFFFAOYSA-N
MW476.16 g/mol
LogP5.81
Rot. Bonds3

About 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one

2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327892) has the molecular formula C20H13BrCl2N4O and a molecular weight of 476.16 g/mol. Its IUPAC name is 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327892
Molecular FormulaC20H13BrCl2N4O
Molecular Weight476.16 g/mol
Exact Mass473.96
IUPAC Name2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(Br)c3)nc21
InChIInChI=1S/C20H13BrCl2N4O/c1-27-18-11(8-14(19(27)28)17-15(22)6-3-7-16(17)23)10-24-20(26-18)25-13-5-2-4-12(21)9-13/h2-10H,1H3,(H,24,25,26)
InChIKeyLXANAWKXDMMAQX-UHFFFAOYSA-N
XLogP5.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.16
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327892) is 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(Br)c3)nc21.
What is the InChIKey of 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LXANAWKXDMMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrCl2N4O/c1-27-18-11(8-14(19(27)28)17-15(22)6-3-7-16(17)23)10-24-20(26-18)25-13-5-2-4-12(21)9-13/h2-10H,1H3,(H,24,25,26).
What are the key properties of 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 476.16 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).