6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine

C16H14Cl2N4S — CID 142923569

IUPAC6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
SMILESC/N=c1/c(-c2c(Cl)cccc2Cl)cc2cnc(SC)nc2n1C
InChIInChI=1S/C16H14Cl2N4S/c1-19-15-10(13-11(17)5-4-6-12(13)18)7-9-8-20-16(23-3)21-14(9)22(15)2/h4-8H,1-3H3/b19-15-
InChIKeyILVJPXDVWBLCJN-CYVLTUHYSA-N
MW365.29 g/mol
LogP4.19
Rot. Bonds2

About 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine

6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine (PubChem CID 142923569) has the molecular formula C16H14Cl2N4S and a molecular weight of 365.29 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
PubChem CID142923569
Molecular FormulaC16H14Cl2N4S
Molecular Weight365.29 g/mol
Exact Mass364.03
IUPAC Name6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
SMILESC/N=c1/c(-c2c(Cl)cccc2Cl)cc2cnc(SC)nc2n1C
InChIInChI=1S/C16H14Cl2N4S/c1-19-15-10(13-11(17)5-4-6-12(13)18)7-9-8-20-16(23-3)21-14(9)22(15)2/h4-8H,1-3H3/b19-15-
InChIKeyILVJPXDVWBLCJN-CYVLTUHYSA-N
XLogP4.19
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.29
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135382600
6-chloro-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135381338
6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
CID 143180037
6-(2,6-dichlorophenyl)-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
CID 10596157
6-(2,6-dichlorophenyl)-8-methyl-2-[(3-methylsulfanylphenyl)methylamino]pyrido[2,3-d]pyrimidin-7-one
CID 46934424
6-[5-[2-(3-tert-butylphenyl)acetyl]-2-chlorophenyl]-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 148500150
1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-yl]urea
CID 66929485
6-(benzenesulfonyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 70895722
6-(2-chloro-3,5-dimethoxyphenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 137491286
6-(2-chlorophenyl)-8-(2-methylpropylamino)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 23551769
2-chloro-6-(2,6-dichlorophenyl)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 169188467
6-(2,6-dichlorophenyl)-8-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-7-one
CID 10362936

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine?
The IUPAC name of 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine (CID 142923569) is 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine?
The canonical SMILES for 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine is C/N=c1/c(-c2c(Cl)cccc2Cl)cc2cnc(SC)nc2n1C.
What is the InChIKey of 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine?
The InChIKey is ILVJPXDVWBLCJN-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H14Cl2N4S/c1-19-15-10(13-11(17)5-4-6-12(13)18)7-9-8-20-16(23-3)21-14(9)22(15)2/h4-8H,1-3H3/b19-15-.
What are the key properties of 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine?
6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine has a molecular weight of 365.29 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine is sourced from PubChem (CID 142923569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).