2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine

C20H22N4S — CID 72903612

IUPAC2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cccc(SC2CCN(c3nc(C)nc4ncccc34)CC2)c1
InChIInChI=1S/C20H22N4S/c1-14-5-3-6-17(13-14)25-16-8-11-24(12-9-16)20-18-7-4-10-21-19(18)22-15(2)23-20/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeySQTGKZDZGFWTMP-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.40
Rot. Bonds3

About 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine

2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine (PubChem CID 72903612) has the molecular formula C20H22N4S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine
PubChem CID72903612
Molecular FormulaC20H22N4S
Molecular Weight350.49 g/mol
Exact Mass350.16
IUPAC Name2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine
SMILESCc1cccc(SC2CCN(c3nc(C)nc4ncccc34)CC2)c1
InChIInChI=1S/C20H22N4S/c1-14-5-3-6-17(13-14)25-16-8-11-24(12-9-16)20-18-7-4-10-21-19(18)22-15(2)23-20/h3-7,10,13,16H,8-9,11-12H2,1-2H3
InChIKeySQTGKZDZGFWTMP-UHFFFAOYSA-N
XLogP4.40
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine (CID 72903612) is 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine is Cc1cccc(SC2CCN(c3nc(C)nc4ncccc34)CC2)c1.
What is the InChIKey of 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine?
The InChIKey is SQTGKZDZGFWTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4S/c1-14-5-3-6-17(13-14)25-16-8-11-24(12-9-16)20-18-7-4-10-21-19(18)22-15(2)23-20/h3-7,10,13,16H,8-9,11-12H2,1-2H3.
What are the key properties of 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine?
2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine has a molecular weight of 350.49 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]pyrido[2,3-d]pyrimidine is sourced from PubChem (CID 72903612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).