(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C17H22N4O2S — CID 75448095

IUPAC(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCc1nc(N)c2c(C)c(C(=O)N3CCOC4(CCCC4)C3)sc2n1
InChIInChI=1S/C17H22N4O2S/c1-10-12-14(18)19-11(2)20-15(12)24-13(10)16(22)21-7-8-23-17(9-21)5-3-4-6-17/h3-9H2,1-2H3,(H2,18,19,20)
InChIKeyXEPXJOLPYWGREJ-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.68
Rot. Bonds1

About (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 75448095) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID75448095
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCc1nc(N)c2c(C)c(C(=O)N3CCOC4(CCCC4)C3)sc2n1
InChIInChI=1S/C17H22N4O2S/c1-10-12-14(18)19-11(2)20-15(12)24-13(10)16(22)21-7-8-23-17(9-21)5-3-4-6-17/h3-9H2,1-2H3,(H2,18,19,20)
InChIKeyXEPXJOLPYWGREJ-UHFFFAOYSA-N
XLogP2.68
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 75448095) is (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is Cc1nc(N)c2c(C)c(C(=O)N3CCOC4(CCCC4)C3)sc2n1.
What is the InChIKey of (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is XEPXJOLPYWGREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-12-14(18)19-11(2)20-15(12)24-13(10)16(22)21-7-8-23-17(9-21)5-3-4-6-17/h3-9H2,1-2H3,(H2,18,19,20).
What are the key properties of (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 346.46 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 75448095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).