6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine

C15H13ClN4S — CID 143180037

IUPAC6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
SMILESCSc1ncc2cc(-c3c(C)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C15H13ClN4S/c1-8-4-3-5-11(16)12(8)10-6-9-7-18-15(21-2)20-14(9)19-13(10)17/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyNZXRGJRIVCRQAZ-UHFFFAOYSA-N
MW316.82 g/mol
LogP3.96
Rot. Bonds2

About 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine

6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine (PubChem CID 143180037) has the molecular formula C15H13ClN4S and a molecular weight of 316.82 g/mol. Its IUPAC name is 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
PubChem CID143180037
Molecular FormulaC15H13ClN4S
Molecular Weight316.82 g/mol
Exact Mass316.05
IUPAC Name6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine
SMILESCSc1ncc2cc(-c3c(C)cccc3Cl)c(N)nc2n1
InChIInChI=1S/C15H13ClN4S/c1-8-4-3-5-11(16)12(8)10-6-9-7-18-15(21-2)20-14(9)19-13(10)17/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyNZXRGJRIVCRQAZ-UHFFFAOYSA-N
XLogP3.96
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-yl]urea
CID 66929485
2-N-(1-aminopentan-3-yl)-6-(2,6-dichlorophenyl)-2-N-ethylpyrido[2,3-d]pyrimidine-2,7-diamine
CID 67696778
methyl 6-[2-chloro-6-(1λ3-iodiran-1-yl)phenyl]-2-methylsulfanylpyrido[2,3-d]pyrimidine-7-carboxylate
CID 163997233
6-(2,6-dichlorophenyl)-N,8-dimethyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-imine
CID 142923569
6-(4-bromo-2-chlorophenyl)-7-chloro-2-methylsulfanylpyrido[2,3-d]pyrimidine
CID 169075113
6-(2,4-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-amine
CID 12904746
2-(2,3-dichlorophenyl)-6-methylsulfanylpyrazolo[3,4-d]pyrimidine
CID 169100534
6-(2,3-dichlorophenyl)-8-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 135382600
1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene
CID 66253733
1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea
CID 12904737
1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
2-[[6-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-yl]amino]ethanol
CID 169075110

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The IUPAC name of 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine (CID 143180037) is 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine.
What is the SMILES notation for 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The canonical SMILES for 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine is CSc1ncc2cc(-c3c(C)cccc3Cl)c(N)nc2n1.
What is the InChIKey of 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
The InChIKey is NZXRGJRIVCRQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4S/c1-8-4-3-5-11(16)12(8)10-6-9-7-18-15(21-2)20-14(9)19-13(10)17/h3-7H,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine?
6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine has a molecular weight of 316.82 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methylphenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-amine is sourced from PubChem (CID 143180037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).