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

C23H22N4S — CID 57400083

IUPACN-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1
InChIInChI=1S/C23H22N4S/c1-3-7-17-11-12-19-22(26-17)24-15-25-23(19)27-20-14-16(2)10-13-21(20)28-18-8-5-4-6-9-18/h4-6,8-15H,3,7H2,1-2H3,(H,24,25,26,27)
InChIKeySDOJQCPKOJJYIC-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.18
Rot. Bonds6

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

N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57400083) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID57400083
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC NameN-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine
SMILESCCCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1
InChIInChI=1S/C23H22N4S/c1-3-7-17-11-12-19-22(26-17)24-15-25-23(19)27-20-14-16(2)10-13-21(20)28-18-8-5-4-6-9-18/h4-6,8-15H,3,7H2,1-2H3,(H,24,25,26,27)
InChIKeySDOJQCPKOJJYIC-UHFFFAOYSA-N
XLogP6.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.18
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-propylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine (CID 57400083) is N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine is CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1.
What is the InChIKey of N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is SDOJQCPKOJJYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-3-7-17-11-12-19-22(26-17)24-15-25-23(19)27-20-14-16(2)10-13-21(20)28-18-8-5-4-6-9-18/h4-6,8-15H,3,7H2,1-2H3,(H,24,25,26,27).
What are the key properties of N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine?
N-(5-methyl-2-phenylsulfanylphenyl)-7-propylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 386.52 g/mol, XLogP of 6.18, 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-propylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57400083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).