6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine

C15H13Cl2N3S — CID 172701811

IUPAC6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
SMILESCSc1ncc2c(n1)N(C)CC(c1cccc(Cl)c1Cl)=C2
InChIInChI=1S/C15H13Cl2N3S/c1-20-8-10(11-4-3-5-12(16)13(11)17)6-9-7-18-15(21-2)19-14(9)20/h3-7H,8H2,1-2H3
InChIKeyDBEZDUYZYWXJFS-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.50
Rot. Bonds2

About 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine

6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine (PubChem CID 172701811) has the molecular formula C15H13Cl2N3S and a molecular weight of 338.26 g/mol. Its IUPAC name is 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
PubChem CID172701811
Molecular FormulaC15H13Cl2N3S
Molecular Weight338.26 g/mol
Exact Mass337.02
IUPAC Name6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine
SMILESCSc1ncc2c(n1)N(C)CC(c1cccc(Cl)c1Cl)=C2
InChIInChI=1S/C15H13Cl2N3S/c1-20-8-10(11-4-3-5-12(16)13(11)17)6-9-7-18-15(21-2)19-14(9)20/h3-7H,8H2,1-2H3
InChIKeyDBEZDUYZYWXJFS-UHFFFAOYSA-N
XLogP4.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethynyl-2-fluoro-5-(8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl)aniline
CID 141205506
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135382600
6-(2-chlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrimido[4,5-d]pyrimidin-5-one
CID 118164450
2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
CID 169100534
2-(2,3-dichlorophenyl)-5-methylpyrazine
CID 151506673
6-methyl-2-methylsulfanyl-7H-pyrrolo[3,4-d]pyrimidin-5-one
CID 67821056
5-(2,3-dichlorophenyl)-6-ethylpyridin-2-amine
CID 139370092
6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
CID 142923569
methyl 4-chloro-3-(7-hydroxy-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidin-6-yl)benzoate
CID 166958031
4-(2-chlorophenyl)-2-methylsulfanylpyrimidine
CID 57263424
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
4-(2-chloroanilino)-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 28905557

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The IUPAC name of 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine (CID 172701811) is 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The canonical SMILES for 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine is CSc1ncc2c(n1)N(C)CC(c1cccc(Cl)c1Cl)=C2.
What is the InChIKey of 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
The InChIKey is DBEZDUYZYWXJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3S/c1-20-8-10(11-4-3-5-12(16)13(11)17)6-9-7-18-15(21-2)19-14(9)20/h3-7H,8H2,1-2H3.
What are the key properties of 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine?
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine has a molecular weight of 338.26 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanyl-7H-pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 172701811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).