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

C23H21FN4S — CID 57393156

IUPACN-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccc(F)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1
InChIInChI=1S/C23H21FN4S/c1-14(2)19-10-9-18-22(27-19)25-13-26-23(18)28-20-12-15(3)4-11-21(20)29-17-7-5-16(24)6-8-17/h4-14H,1-3H3,(H,25,26,27,28)
InChIKeyNQFNCBBPDJMZJZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.49
Rot. Bonds5

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

N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57393156) has the molecular formula C23H21FN4S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID57393156
Molecular FormulaC23H21FN4S
Molecular Weight404.51 g/mol
Exact Mass404.15
IUPAC NameN-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccc(F)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1
InChIInChI=1S/C23H21FN4S/c1-14(2)19-10-9-18-22(27-19)25-13-26-23(18)28-20-12-15(3)4-11-21(20)29-17-7-5-16(24)6-8-17/h4-14H,1-3H3,(H,25,26,27,28)
InChIKeyNQFNCBBPDJMZJZ-UHFFFAOYSA-N
XLogP6.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 57393156) is N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(Sc2ccc(F)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is NQFNCBBPDJMZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4S/c1-14(2)19-10-9-18-22(27-19)25-13-26-23(18)28-20-12-15(3)4-11-21(20)29-17-7-5-16(24)6-8-17/h4-14H,1-3H3,(H,25,26,27,28).
What are the key properties of N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine?
N-[2-(4-fluorophenyl)sulfanyl-5-methylphenyl]-7-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 404.51 g/mol, XLogP of 6.49, 5 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-propan-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57393156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).