7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine

C21H18N4S — CID 57401889

IUPAC7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C)ccc23)c1
InChIInChI=1S/C21H18N4S/c1-14-8-11-19(26-16-6-4-3-5-7-16)18(12-14)25-21-17-10-9-15(2)24-20(17)22-13-23-21/h3-13H,1-2H3,(H,22,23,24,25)
InChIKeyWRJXHBPFOQMRDP-UHFFFAOYSA-N
MW358.47 g/mol
LogP5.54
Rot. Bonds4

About 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine

7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57401889) has the molecular formula C21H18N4S and a molecular weight of 358.47 g/mol. Its IUPAC name is 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID57401889
Molecular FormulaC21H18N4S
Molecular Weight358.47 g/mol
Exact Mass358.13
IUPAC Name7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C)ccc23)c1
InChIInChI=1S/C21H18N4S/c1-14-8-11-19(26-16-6-4-3-5-7-16)18(12-14)25-21-17-10-9-15(2)24-20(17)22-13-23-21/h3-13H,1-2H3,(H,22,23,24,25)
InChIKeyWRJXHBPFOQMRDP-UHFFFAOYSA-N
XLogP5.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 57401889) is 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C)ccc23)c1.
What is the InChIKey of 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is WRJXHBPFOQMRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4S/c1-14-8-11-19(26-16-6-4-3-5-7-16)18(12-14)25-21-17-10-9-15(2)24-20(17)22-13-23-21/h3-13H,1-2H3,(H,22,23,24,25).
What are the key properties of 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 358.47 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57401889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).