4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine

C18H19N3OS — CID 133407661

IUPAC4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(C2CCCN2c2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C18H19N3OS/c1-12-10-15-17(19-11-20-18(15)23-12)21-9-3-4-16(21)13-5-7-14(22-2)8-6-13/h5-8,10-11,16H,3-4,9H2,1-2H3
InChIKeyZSHJDXUIOIPZAV-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.35
Rot. Bonds3

About 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine

4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 133407661) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID133407661
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(C2CCCN2c2ncnc3sc(C)cc23)cc1
InChIInChI=1S/C18H19N3OS/c1-12-10-15-17(19-11-20-18(15)23-12)21-9-3-4-16(21)13-5-7-14(22-2)8-6-13/h5-8,10-11,16H,3-4,9H2,1-2H3
InChIKeyZSHJDXUIOIPZAV-UHFFFAOYSA-N
XLogP4.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine (CID 133407661) is 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine is COc1ccc(C2CCCN2c2ncnc3sc(C)cc23)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is ZSHJDXUIOIPZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-10-15-17(19-11-20-18(15)23-12)21-9-3-4-16(21)13-5-7-14(22-2)8-6-13/h5-8,10-11,16H,3-4,9H2,1-2H3.
What are the key properties of 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 325.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 133407661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).