6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C9H10N2OS — CID 2759515

IUPAC6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1cc2c(=O)[nH]cnc2s1
InChIInChI=1S/C9H10N2OS/c1-5(2)7-3-6-8(12)10-4-11-9(6)13-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyQPXYXDJHZOFGTB-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.11
Rot. Bonds1

About 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2759515) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2759515
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCC(C)c1cc2c(=O)[nH]cnc2s1
InChIInChI=1S/C9H10N2OS/c1-5(2)7-3-6-8(12)10-4-11-9(6)13-7/h3-5H,1-2H3,(H,10,11,12)
InChIKeyQPXYXDJHZOFGTB-UHFFFAOYSA-N
XLogP2.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2759515) is 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is CC(C)c1cc2c(=O)[nH]cnc2s1.
What is the InChIKey of 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is QPXYXDJHZOFGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-5(2)7-3-6-8(12)10-4-11-9(6)13-7/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 194.26 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2759515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).