2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C18H24N4OS — CID 72891070

IUPAC2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(c3nc(C)nc4ccsc34)C2)C1=O
InChIInChI=1S/C18H24N4OS/c1-3-8-21-9-4-6-18(17(21)23)7-10-22(12-18)16-15-14(5-11-24-15)19-13(2)20-16/h5,11H,3-4,6-10,12H2,1-2H3
InChIKeyJKELMKXWTPMNFT-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.23
Rot. Bonds3

About 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one

2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72891070) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72891070
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCCC2(CCN(c3nc(C)nc4ccsc34)C2)C1=O
InChIInChI=1S/C18H24N4OS/c1-3-8-21-9-4-6-18(17(21)23)7-10-22(12-18)16-15-14(5-11-24-15)19-13(2)20-16/h5,11H,3-4,6-10,12H2,1-2H3
InChIKeyJKELMKXWTPMNFT-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 72891070) is 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCCC2(CCN(c3nc(C)nc4ccsc34)C2)C1=O.
What is the InChIKey of 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JKELMKXWTPMNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-3-8-21-9-4-6-18(17(21)23)7-10-22(12-18)16-15-14(5-11-24-15)19-13(2)20-16/h5,11H,3-4,6-10,12H2,1-2H3.
What are the key properties of 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthieno[3,2-d]pyrimidin-4-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72891070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).