2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine

C16H16N4S2 — CID 56969052

IUPAC2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCSc1ccc(CNc2nc(SC)nc3ncccc23)cc1
InChIInChI=1S/C16H16N4S2/c1-21-12-7-5-11(6-8-12)10-18-15-13-4-3-9-17-14(13)19-16(20-15)22-2/h3-9H,10H2,1-2H3,(H,17,18,19,20)
InChIKeyGZSWPVJNJIFDMD-UHFFFAOYSA-N
MW328.47 g/mol
LogP4.08
Rot. Bonds5

About 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine

2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 56969052) has the molecular formula C16H16N4S2 and a molecular weight of 328.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID56969052
Molecular FormulaC16H16N4S2
Molecular Weight328.47 g/mol
Exact Mass328.08
IUPAC Name2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCSc1ccc(CNc2nc(SC)nc3ncccc23)cc1
InChIInChI=1S/C16H16N4S2/c1-21-12-7-5-11(6-8-12)10-18-15-13-4-3-9-17-14(13)19-16(20-15)22-2/h3-9H,10H2,1-2H3,(H,17,18,19,20)
InChIKeyGZSWPVJNJIFDMD-UHFFFAOYSA-N
XLogP4.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.47
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 56969052) is 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine is CSc1ccc(CNc2nc(SC)nc3ncccc23)cc1.
What is the InChIKey of 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is GZSWPVJNJIFDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S2/c1-21-12-7-5-11(6-8-12)10-18-15-13-4-3-9-17-14(13)19-16(20-15)22-2/h3-9H,10H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 328.47 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(4-methylsulfanylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 56969052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).