2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C18H19N5OS — CID 154570721

IUPAC2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC21CCCN(c2ncnc3ccsc23)C1
InChIInChI=1S/C18H19N5OS/c1-11-21-15-12(17(24)22-11)3-6-18(15)5-2-7-23(9-18)16-14-13(4-8-25-14)19-10-20-16/h4,8,10H,2-3,5-7,9H2,1H3,(H,21,22,24)
InChIKeyLSEQVGMLTRWZIY-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.57
Rot. Bonds1

About 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154570721) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154570721
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESCc1nc2c(c(=O)[nH]1)CCC21CCCN(c2ncnc3ccsc23)C1
InChIInChI=1S/C18H19N5OS/c1-11-21-15-12(17(24)22-11)3-6-18(15)5-2-7-23(9-18)16-14-13(4-8-25-14)19-10-20-16/h4,8,10H,2-3,5-7,9H2,1H3,(H,21,22,24)
InChIKeyLSEQVGMLTRWZIY-UHFFFAOYSA-N
XLogP2.57
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154570721) is 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is Cc1nc2c(c(=O)[nH]1)CCC21CCCN(c2ncnc3ccsc23)C1.
What is the InChIKey of 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is LSEQVGMLTRWZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-11-21-15-12(17(24)22-11)3-6-18(15)5-2-7-23(9-18)16-14-13(4-8-25-14)19-10-20-16/h4,8,10H,2-3,5-7,9H2,1H3,(H,21,22,24).
What are the key properties of 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 353.45 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1'-thieno[3,2-d]pyrimidin-4-ylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154570721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).