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

C24H24N4S — CID 57403546

IUPACN-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(CC(C)C)ccc23)c1
InChIInChI=1S/C24H24N4S/c1-16(2)13-18-10-11-20-23(27-18)25-15-26-24(20)28-21-14-17(3)9-12-22(21)29-19-7-5-4-6-8-19/h4-12,14-16H,13H2,1-3H3,(H,25,26,27,28)
InChIKeyPTYBWOJOXMWGOR-UHFFFAOYSA-N
MW400.55 g/mol
LogP6.43
Rot. Bonds6

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

N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57403546) has the molecular formula C24H24N4S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID57403546
Molecular FormulaC24H24N4S
Molecular Weight400.55 g/mol
Exact Mass400.17
IUPAC NameN-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(CC(C)C)ccc23)c1
InChIInChI=1S/C24H24N4S/c1-16(2)13-18-10-11-20-23(27-18)25-15-26-24(20)28-21-14-17(3)9-12-22(21)29-19-7-5-4-6-8-19/h4-12,14-16H,13H2,1-3H3,(H,25,26,27,28)
InChIKeyPTYBWOJOXMWGOR-UHFFFAOYSA-N
XLogP6.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine (CID 57403546) is N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(CC(C)C)ccc23)c1.
What is the InChIKey of N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is PTYBWOJOXMWGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4S/c1-16(2)13-18-10-11-20-23(27-18)25-15-26-24(20)28-21-14-17(3)9-12-22(21)29-19-7-5-4-6-8-19/h4-12,14-16H,13H2,1-3H3,(H,25,26,27,28).
What are the key properties of N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine?
N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 400.55 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-phenylsulfanylphenyl)-7-(2-methylpropyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57403546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).