(4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone

C12H15N3O2S — CID 66641486

IUPAC(4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
SMILESCOC1N=CNc2sc(C(=O)N3CCCC3)cc21
InChIInChI=1S/C12H15N3O2S/c1-17-10-8-6-9(18-11(8)14-7-13-10)12(16)15-4-2-3-5-15/h6-7,10H,2-5H2,1H3,(H,13,14)
InChIKeyRSPGCYDBGWFWIM-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.08
Rot. Bonds2

About (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone

(4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 66641486) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
PubChem CID66641486
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone
SMILESCOC1N=CNc2sc(C(=O)N3CCCC3)cc21
InChIInChI=1S/C12H15N3O2S/c1-17-10-8-6-9(18-11(8)14-7-13-10)12(16)15-4-2-3-5-15/h6-7,10H,2-5H2,1H3,(H,13,14)
InChIKeyRSPGCYDBGWFWIM-UHFFFAOYSA-N
XLogP2.08
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone (CID 66641486) is (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone is COC1N=CNc2sc(C(=O)N3CCCC3)cc21.
What is the InChIKey of (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is RSPGCYDBGWFWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-17-10-8-6-9(18-11(8)14-7-13-10)12(16)15-4-2-3-5-15/h6-7,10H,2-5H2,1H3,(H,13,14).
What are the key properties of (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone?
(4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 265.34 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1,4-dihydrothieno[2,3-d]pyrimidin-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 66641486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).