1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one

C19H17N3O2S2 — CID 7888344

IUPAC1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESCc1nc(SCC(=O)N2CCCC2=O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H17N3O2S2/c1-12-20-18(25-11-17(24)22-9-5-8-16(22)23)14-10-15(26-19(14)21-12)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyXJSYSHMSWFFEKR-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.91
Rot. Bonds4

About 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one

1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one (PubChem CID 7888344) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
PubChem CID7888344
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESCc1nc(SCC(=O)N2CCCC2=O)c2cc(-c3ccccc3)sc2n1
InChIInChI=1S/C19H17N3O2S2/c1-12-20-18(25-11-17(24)22-9-5-8-16(22)23)14-10-15(26-19(14)21-12)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3
InChIKeyXJSYSHMSWFFEKR-UHFFFAOYSA-N
XLogP3.91
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one (CID 7888344) is 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one is Cc1nc(SCC(=O)N2CCCC2=O)c2cc(-c3ccccc3)sc2n1.
What is the InChIKey of 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is XJSYSHMSWFFEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-12-20-18(25-11-17(24)22-9-5-8-16(22)23)14-10-15(26-19(14)21-12)13-6-3-2-4-7-13/h2-4,6-7,10H,5,8-9,11H2,1H3.
What are the key properties of 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one?
1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 383.50 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 7888344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).