2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

C17H23N3O2S2 — CID 1463278

IUPAC2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCCCc1nc(SCC(=O)N2CCOCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H23N3O2S2/c1-4-5-13-18-16(15-11(2)12(3)24-17(15)19-13)23-10-14(21)20-6-8-22-9-7-20/h4-10H2,1-3H3
InChIKeyWYWJUMAARPBNEO-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.21
Rot. Bonds5

About 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone

2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (PubChem CID 1463278) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
PubChem CID1463278
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC Name2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone
SMILESCCCc1nc(SCC(=O)N2CCOCC2)c2c(C)c(C)sc2n1
InChIInChI=1S/C17H23N3O2S2/c1-4-5-13-18-16(15-11(2)12(3)24-17(15)19-13)23-10-14(21)20-6-8-22-9-7-20/h4-10H2,1-3H3
InChIKeyWYWJUMAARPBNEO-UHFFFAOYSA-N
XLogP3.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The IUPAC name of 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone (CID 1463278) is 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is CCCc1nc(SCC(=O)N2CCOCC2)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
The InChIKey is WYWJUMAARPBNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-4-5-13-18-16(15-11(2)12(3)24-17(15)19-13)23-10-14(21)20-6-8-22-9-7-20/h4-10H2,1-3H3.
What are the key properties of 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone?
2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone has a molecular weight of 365.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-propylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-morpholin-4-ylethanone is sourced from PubChem (CID 1463278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).