4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one

C9H8N2OS — CID 136769371

IUPAC4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]cn2)s1
InChIInChI=1S/C9H8N2OS/c1-6-2-3-8(13-6)7-4-9(12)11-5-10-7/h2-5H,1H3,(H,10,11,12)
InChIKeyYHZPZSCOLXOSRV-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.81
Rot. Bonds1

About 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one

4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one (PubChem CID 136769371) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
PubChem CID136769371
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]cn2)s1
InChIInChI=1S/C9H8N2OS/c1-6-2-3-8(13-6)7-4-9(12)11-5-10-7/h2-5H,1H3,(H,10,11,12)
InChIKeyYHZPZSCOLXOSRV-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 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one (CID 136769371) is 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]cn2)s1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is YHZPZSCOLXOSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c1-6-2-3-8(13-6)7-4-9(12)11-5-10-7/h2-5H,1H3,(H,10,11,12).
What are the key properties of 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one?
4-(5-methylthiophen-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 4-(5-methylthiophen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136769371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).