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

C24H22N4S — CID 57391321

IUPAC7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C4CCC4)ccc23)c1
InChIInChI=1S/C24H22N4S/c1-16-10-13-22(29-18-8-3-2-4-9-18)21(14-16)28-24-19-11-12-20(17-6-5-7-17)27-23(19)25-15-26-24/h2-4,8-15,17H,5-7H2,1H3,(H,25,26,27,28)
InChIKeyPYVTUXWFWMRUAB-UHFFFAOYSA-N
MW398.54 g/mol
LogP6.50
Rot. Bonds5

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

7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57391321) has the molecular formula C24H22N4S and a molecular weight of 398.54 g/mol. Its IUPAC name is 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID57391321
Molecular FormulaC24H22N4S
Molecular Weight398.54 g/mol
Exact Mass398.16
IUPAC Name7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C4CCC4)ccc23)c1
InChIInChI=1S/C24H22N4S/c1-16-10-13-22(29-18-8-3-2-4-9-18)21(14-16)28-24-19-11-12-20(17-6-5-7-17)27-23(19)25-15-26-24/h2-4,8-15,17H,5-7H2,1H3,(H,25,26,27,28)
InChIKeyPYVTUXWFWMRUAB-UHFFFAOYSA-N
XLogP6.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.54
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 57391321) is 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C4CCC4)ccc23)c1.
What is the InChIKey of 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is PYVTUXWFWMRUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4S/c1-16-10-13-22(29-18-8-3-2-4-9-18)21(14-16)28-24-19-11-12-20(17-6-5-7-17)27-23(19)25-15-26-24/h2-4,8-15,17H,5-7H2,1H3,(H,25,26,27,28).
What are the key properties of 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 398.54 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57391321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).