2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

C16H12Cl3N3O — CID 169188467

IUPAC2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Cl)nc21
InChIInChI=1S/C16H12Cl3N3O/c1-8(2)22-14-9(7-20-16(19)21-14)6-10(15(22)23)13-11(17)4-3-5-12(13)18/h3-8H,1-2H3
InChIKeyYCXLXMOOBWXLSP-UHFFFAOYSA-N
MW368.65 g/mol
LogP5.00
Rot. Bonds2

About 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one

2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 169188467) has the molecular formula C16H12Cl3N3O and a molecular weight of 368.65 g/mol. Its IUPAC name is 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID169188467
Molecular FormulaC16H12Cl3N3O
Molecular Weight368.65 g/mol
Exact Mass367.00
IUPAC Name2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)n1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Cl)nc21
InChIInChI=1S/C16H12Cl3N3O/c1-8(2)22-14-9(7-20-16(19)21-14)6-10(15(22)23)13-11(17)4-3-5-12(13)18/h3-8H,1-2H3
InChIKeyYCXLXMOOBWXLSP-UHFFFAOYSA-N
XLogP5.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(2,6-difluorophenyl)-1-propan-2-yl-1,6-naphthyridin-2-one
CID 118400066
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 10596157
6-(2,6-dichlorophenyl)-2-[3-(1-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 53348083
6-(2,6-dichlorophenyl)-8-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-7-one
CID 10362936
6-(2,6-dichlorophenyl)-2-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 127047784
6-(2,6-dichlorophenyl)-2-[ethyl(hydroxy)amino]-8-methoxypyrido[2,3-d]pyrimidin-7-one
CID 90788011
6-(2,6-dichlorophenyl)-2-(4-hydroxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 142923567
6-(2,6-dichlorophenyl)-8-ethyl-2-(pyridin-4-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 5327890
6-(2,6-dichlorophenyl)-8-methyl-2-(4-methylsulfonylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 135381980
4-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-4-oxobutanoic acid
CID 11690310
6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
CID 142923569
2-amino-6-(2,6-dichlorophenyl)-8-(3-phenylpropyl)pyrido[2,3-d]pyrimidin-7-one
CID 11683289

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 169188467) is 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Cl)nc21.
What is the InChIKey of 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YCXLXMOOBWXLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3N3O/c1-8(2)22-14-9(7-20-16(19)21-14)6-10(15(22)23)13-11(17)4-3-5-12(13)18/h3-8H,1-2H3.
What are the key properties of 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 368.65 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169188467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).