2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one

C11H11N3OS — CID 85167367

IUPAC2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C1NC(c2cccnc2)NC2C=CSC12
InChIInChI=1S/C11H11N3OS/c15-11-9-8(3-5-16-9)13-10(14-11)7-2-1-4-12-6-7/h1-6,8-10,13H,(H,14,15)
InChIKeyOYQGZXMBYYUEOV-UHFFFAOYSA-N
MW233.30 g/mol
LogP0.80
Rot. Bonds1

About 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one

2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 85167367) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one
PubChem CID85167367
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C1NC(c2cccnc2)NC2C=CSC12
InChIInChI=1S/C11H11N3OS/c15-11-9-8(3-5-16-9)13-10(14-11)7-2-1-4-12-6-7/h1-6,8-10,13H,(H,14,15)
InChIKeyOYQGZXMBYYUEOV-UHFFFAOYSA-N
XLogP0.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one (CID 85167367) is 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one is O=C1NC(c2cccnc2)NC2C=CSC12.
What is the InChIKey of 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OYQGZXMBYYUEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c15-11-9-8(3-5-16-9)13-10(14-11)7-2-1-4-12-6-7/h1-6,8-10,13H,(H,14,15).
What are the key properties of 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one?
2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 233.30 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 85167367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).