5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one

C9H8N2O2S — CID 136692198

IUPAC5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCOc1c(-c2cccs2)nc[nH]c1=O
InChIInChI=1S/C9H8N2O2S/c1-13-8-7(6-3-2-4-14-6)10-5-11-9(8)12/h2-5H,1H3,(H,10,11,12)
InChIKeyKFKIGWXFHWGESI-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.51
Rot. Bonds2

About 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one

5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 136692198) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID136692198
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCOc1c(-c2cccs2)nc[nH]c1=O
InChIInChI=1S/C9H8N2O2S/c1-13-8-7(6-3-2-4-14-6)10-5-11-9(8)12/h2-5H,1H3,(H,10,11,12)
InChIKeyKFKIGWXFHWGESI-UHFFFAOYSA-N
XLogP1.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one (CID 136692198) is 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one is COc1c(-c2cccs2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is KFKIGWXFHWGESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c1-13-8-7(6-3-2-4-14-6)10-5-11-9(8)12/h2-5H,1H3,(H,10,11,12).
What are the key properties of 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one?
5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 208.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136692198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).