5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

C19H21N3S — CID 71891726

IUPAC5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccccc1C1CCCN1c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C19H21N3S/c1-12-7-4-5-8-15(12)16-9-6-10-22(16)18-17-13(2)14(3)23-19(17)21-11-20-18/h4-5,7-8,11,16H,6,9-10H2,1-3H3
InChIKeyOLDIWDXVIVFNLO-UHFFFAOYSA-N
MW323.47 g/mol
LogP4.96
Rot. Bonds2

About 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine

5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 71891726) has the molecular formula C19H21N3S and a molecular weight of 323.47 g/mol. Its IUPAC name is 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID71891726
Molecular FormulaC19H21N3S
Molecular Weight323.47 g/mol
Exact Mass323.15
IUPAC Name5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
SMILESCc1ccccc1C1CCCN1c1ncnc2sc(C)c(C)c12
InChIInChI=1S/C19H21N3S/c1-12-7-4-5-8-15(12)16-9-6-10-22(16)18-17-13(2)14(3)23-19(17)21-11-20-18/h4-5,7-8,11,16H,6,9-10H2,1-3H3
InChIKeyOLDIWDXVIVFNLO-UHFFFAOYSA-N
XLogP4.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine (CID 71891726) is 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is Cc1ccccc1C1CCCN1c1ncnc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is OLDIWDXVIVFNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3S/c1-12-7-4-5-8-15(12)16-9-6-10-22(16)18-17-13(2)14(3)23-19(17)21-11-20-18/h4-5,7-8,11,16H,6,9-10H2,1-3H3.
What are the key properties of 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 323.47 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[2-(2-methylphenyl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 71891726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).