2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine

C18H15N5S — CID 142785015

IUPAC2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine
SMILESCSc1cncc(-c2nc(-c3cccc(C)n3)nc3c2N=CC3)c1
InChIInChI=1S/C18H15N5S/c1-11-4-3-5-15(21-11)18-22-14-6-7-20-17(14)16(23-18)12-8-13(24-2)10-19-9-12/h3-5,7-10H,6H2,1-2H3
InChIKeyDEWWBTRIOQALOK-UHFFFAOYSA-N
MW333.42 g/mol
LogP3.89
Rot. Bonds3

About 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine

2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine (PubChem CID 142785015) has the molecular formula C18H15N5S and a molecular weight of 333.42 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine
PubChem CID142785015
Molecular FormulaC18H15N5S
Molecular Weight333.42 g/mol
Exact Mass333.10
IUPAC Name2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine
SMILESCSc1cncc(-c2nc(-c3cccc(C)n3)nc3c2N=CC3)c1
InChIInChI=1S/C18H15N5S/c1-11-4-3-5-15(21-11)18-22-14-6-7-20-17(14)16(23-18)12-8-13(24-2)10-19-9-12/h3-5,7-10H,6H2,1-2H3
InChIKeyDEWWBTRIOQALOK-UHFFFAOYSA-N
XLogP3.89
TPSA63.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine (CID 142785015) is 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine is CSc1cncc(-c2nc(-c3cccc(C)n3)nc3c2N=CC3)c1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is DEWWBTRIOQALOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5S/c1-11-4-3-5-15(21-11)18-22-14-6-7-20-17(14)16(23-18)12-8-13(24-2)10-19-9-12/h3-5,7-10H,6H2,1-2H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine?
2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 333.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-4-(5-methylsulfanyl-3-pyridinyl)-7H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 142785015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).