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

C23H20N4S — CID 57391392

IUPAC7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C4CC4)ccc23)c1
InChIInChI=1S/C23H20N4S/c1-15-7-12-21(28-17-5-3-2-4-6-17)20(13-15)27-23-18-10-11-19(16-8-9-16)26-22(18)24-14-25-23/h2-7,10-14,16H,8-9H2,1H3,(H,24,25,26,27)
InChIKeyAJZVPKFNMNXJPM-UHFFFAOYSA-N
MW384.51 g/mol
LogP6.11
Rot. Bonds5

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

7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57391392) has the molecular formula C23H20N4S and a molecular weight of 384.51 g/mol. Its IUPAC name is 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID57391392
Molecular FormulaC23H20N4S
Molecular Weight384.51 g/mol
Exact Mass384.14
IUPAC Name7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C4CC4)ccc23)c1
InChIInChI=1S/C23H20N4S/c1-15-7-12-21(28-17-5-3-2-4-6-17)20(13-15)27-23-18-10-11-19(16-8-9-16)26-22(18)24-14-25-23/h2-7,10-14,16H,8-9H2,1H3,(H,24,25,26,27)
InChIKeyAJZVPKFNMNXJPM-UHFFFAOYSA-N
XLogP6.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 57391392) is 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine is Cc1ccc(Sc2ccccc2)c(Nc2ncnc3nc(C4CC4)ccc23)c1.
What is the InChIKey of 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is AJZVPKFNMNXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4S/c1-15-7-12-21(28-17-5-3-2-4-6-17)20(13-15)27-23-18-10-11-19(16-8-9-16)26-22(18)24-14-25-23/h2-7,10-14,16H,8-9H2,1H3,(H,24,25,26,27).
What are the key properties of 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 384.51 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-N-(5-methyl-2-phenylsulfanylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57391392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).