5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one

C9H8N2OS — CID 70567641

IUPAC5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCc1cnc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C9H8N2OS/c1-6-5-10-8(11-9(6)12)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12)
InChIKeyVFOWJMDOLNTDBV-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

About 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one

5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 70567641) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID70567641
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one
SMILESCc1cnc(-c2cccs2)[nH]c1=O
InChIInChI=1S/C9H8N2OS/c1-6-5-10-8(11-9(6)12)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12)
InChIKeyVFOWJMDOLNTDBV-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one (CID 70567641) is 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one is Cc1cnc(-c2cccs2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is VFOWJMDOLNTDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-5-10-8(11-9(6)12)7-3-2-4-13-7/h2-5H,1H3,(H,10,11,12).
What are the key properties of 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one?
5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 192.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 70567641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).