1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

C17H21N3OS — CID 66743827

IUPAC1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCN1c2cc(-c3ccncc3)sc2C(=O)NC1(CC)CC
InChIInChI=1S/C17H21N3OS/c1-4-17(5-2)19-16(21)15-13(20(17)6-3)11-14(22-15)12-7-9-18-10-8-12/h7-11H,4-6H2,1-3H3,(H,19,21)
InChIKeyMCDRXNRHUKTKQY-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.90
Rot. Bonds4

About 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one

1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 66743827) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID66743827
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCN1c2cc(-c3ccncc3)sc2C(=O)NC1(CC)CC
InChIInChI=1S/C17H21N3OS/c1-4-17(5-2)19-16(21)15-13(20(17)6-3)11-14(22-15)12-7-9-18-10-8-12/h7-11H,4-6H2,1-3H3,(H,19,21)
InChIKeyMCDRXNRHUKTKQY-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 66743827) is 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is CCN1c2cc(-c3ccncc3)sc2C(=O)NC1(CC)CC.
What is the InChIKey of 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is MCDRXNRHUKTKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-4-17(5-2)19-16(21)15-13(20(17)6-3)11-14(22-15)12-7-9-18-10-8-12/h7-11H,4-6H2,1-3H3,(H,19,21).
What are the key properties of 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one?
1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 315.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-triethyl-6-pyridin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 66743827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).