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

C19H25N3O4S — CID 139008527

IUPAC[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCOC4(CCCC4)C3)sc2n1
InChIInChI=1S/C19H25N3O4S/c1-12-14-16(25-3)20-13(10-24-2)21-17(14)27-15(12)18(23)22-8-9-26-19(11-22)6-4-5-7-19/h4-11H2,1-3H3
InChIKeyHBJPGIHQPGBNME-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.94
Rot. Bonds4

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

[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 139008527) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID139008527
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCOC4(CCCC4)C3)sc2n1
InChIInChI=1S/C19H25N3O4S/c1-12-14-16(25-3)20-13(10-24-2)21-17(14)27-15(12)18(23)22-8-9-26-19(11-22)6-4-5-7-19/h4-11H2,1-3H3
InChIKeyHBJPGIHQPGBNME-UHFFFAOYSA-N
XLogP2.94
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 139008527) is [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is COCc1nc(OC)c2c(C)c(C(=O)N3CCOC4(CCCC4)C3)sc2n1.
What is the InChIKey of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is HBJPGIHQPGBNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-12-14-16(25-3)20-13(10-24-2)21-17(14)27-15(12)18(23)22-8-9-26-19(11-22)6-4-5-7-19/h4-11H2,1-3H3.
What are the key properties of [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 391.49 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 139008527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).