N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine

C21H17FN4S — CID 57391389

IUPACN-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccc(F)cc2)c(Nc2ncnc3nc(C)ccc23)c1
InChIInChI=1S/C21H17FN4S/c1-13-3-10-19(27-16-7-5-15(22)6-8-16)18(11-13)26-21-17-9-4-14(2)25-20(17)23-12-24-21/h3-12H,1-2H3,(H,23,24,25,26)
InChIKeyJUIRASCVEPJGSV-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.68
Rot. Bonds4

About N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine

N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57391389) has the molecular formula C21H17FN4S and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID57391389
Molecular FormulaC21H17FN4S
Molecular Weight376.46 g/mol
Exact Mass376.12
IUPAC NameN-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccc(F)cc2)c(Nc2ncnc3nc(C)ccc23)c1
InChIInChI=1S/C21H17FN4S/c1-13-3-10-19(27-16-7-5-15(22)6-8-16)18(11-13)26-21-17-9-4-14(2)25-20(17)23-12-24-21/h3-12H,1-2H3,(H,23,24,25,26)
InChIKeyJUIRASCVEPJGSV-UHFFFAOYSA-N
XLogP5.68
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine (CID 57391389) is N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(Sc2ccc(F)cc2)c(Nc2ncnc3nc(C)ccc23)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JUIRASCVEPJGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4S/c1-13-3-10-19(27-16-7-5-15(22)6-8-16)18(11-13)26-21-17-9-4-14(2)25-20(17)23-12-24-21/h3-12H,1-2H3,(H,23,24,25,26).
What are the key properties of N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine?
N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 376.46 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-methylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57391389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).