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

C23H22N4S — CID 57391391

IUPACN-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1
InChIInChI=1S/C23H22N4S/c1-15(2)19-11-10-18-22(26-19)24-14-25-23(18)27-20-13-16(3)9-12-21(20)28-17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25,26,27)
InChIKeyXHPFUQXHLRAFDW-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.35
Rot. Bonds5

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

N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57391391) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID57391391
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC NameN-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1
InChIInChI=1S/C23H22N4S/c1-15(2)19-11-10-18-22(26-19)24-14-25-23(18)27-20-13-16(3)9-12-21(20)28-17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25,26,27)
InChIKeyXHPFUQXHLRAFDW-UHFFFAOYSA-N
XLogP6.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.35
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-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 57391391) is N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1.
What is the InChIKey of N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is XHPFUQXHLRAFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-15(2)19-11-10-18-22(26-19)24-14-25-23(18)27-20-13-16(3)9-12-21(20)28-17-7-5-4-6-8-17/h4-15H,1-3H3,(H,24,25,26,27).
What are the key properties of N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
N-(5-methyl-2-phenylsulfanylphenyl)-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 386.52 g/mol, XLogP of 6.35, 5 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-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57391391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).