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

C22H20N4S — CID 57396649

IUPAC7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1
InChIInChI=1S/C22H20N4S/c1-3-16-10-11-18-21(25-16)23-14-24-22(18)26-19-13-15(2)9-12-20(19)27-17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,24,25,26)
InChIKeyXDWFREXNBYFVTM-UHFFFAOYSA-N
MW372.50 g/mol
LogP5.79
Rot. Bonds5

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

7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57396649) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID57396649
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1
InChIInChI=1S/C22H20N4S/c1-3-16-10-11-18-21(25-16)23-14-24-22(18)26-19-13-15(2)9-12-20(19)27-17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,24,25,26)
InChIKeyXDWFREXNBYFVTM-UHFFFAOYSA-N
XLogP5.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.50
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 57396649) is 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine is CCc1ccc2c(Nc3cc(C)ccc3Sc3ccccc3)ncnc2n1.
What is the InChIKey of 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is XDWFREXNBYFVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-3-16-10-11-18-21(25-16)23-14-24-22(18)26-19-13-15(2)9-12-20(19)27-17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,24,25,26).
What are the key properties of 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 372.50 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57396649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).