4-(3-methylthiophen-2-yl)pyrimidine

C9H8N2S — CID 129068181

IUPAC4-(3-methylthiophen-2-yl)pyrimidine
SMILESCc1ccsc1-c1ccncn1
InChIInChI=1S/C9H8N2S/c1-7-3-5-12-9(7)8-2-4-10-6-11-8/h2-6H,1H3
InChIKeyRHLMUYCGQUIJNN-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.51
Rot. Bonds1

About 4-(3-methylthiophen-2-yl)pyrimidine

4-(3-methylthiophen-2-yl)pyrimidine (PubChem CID 129068181) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)pyrimidine
PubChem CID129068181
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name4-(3-methylthiophen-2-yl)pyrimidine
SMILESCc1ccsc1-c1ccncn1
InChIInChI=1S/C9H8N2S/c1-7-3-5-12-9(7)8-2-4-10-6-11-8/h2-6H,1H3
InChIKeyRHLMUYCGQUIJNN-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)pyrimidine?
The IUPAC name of 4-(3-methylthiophen-2-yl)pyrimidine (CID 129068181) is 4-(3-methylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)pyrimidine?
The canonical SMILES for 4-(3-methylthiophen-2-yl)pyrimidine is Cc1ccsc1-c1ccncn1.
What is the InChIKey of 4-(3-methylthiophen-2-yl)pyrimidine?
The InChIKey is RHLMUYCGQUIJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-7-3-5-12-9(7)8-2-4-10-6-11-8/h2-6H,1H3.
What are the key properties of 4-(3-methylthiophen-2-yl)pyrimidine?
4-(3-methylthiophen-2-yl)pyrimidine has a molecular weight of 176.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 129068181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).