(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone

C10H8N2OS — CID 102830634

IUPAC(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
SMILESCc1sccc1C(=O)c1ncccn1
InChIInChI=1S/C10H8N2OS/c1-7-8(3-6-14-7)9(13)10-11-4-2-5-12-10/h2-6H,1H3
InChIKeySMEBFVHGWGDNDL-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.08
Rot. Bonds2

About (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone

(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone (PubChem CID 102830634) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
PubChem CID102830634
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC Name(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
SMILESCc1sccc1C(=O)c1ncccn1
InChIInChI=1S/C10H8N2OS/c1-7-8(3-6-14-7)9(13)10-11-4-2-5-12-10/h2-6H,1H3
InChIKeySMEBFVHGWGDNDL-UHFFFAOYSA-N
XLogP2.08
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone?
The IUPAC name of (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone (CID 102830634) is (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone?
The canonical SMILES for (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone is Cc1sccc1C(=O)c1ncccn1.
What is the InChIKey of (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone?
The InChIKey is SMEBFVHGWGDNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c1-7-8(3-6-14-7)9(13)10-11-4-2-5-12-10/h2-6H,1H3.
What are the key properties of (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone?
(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone has a molecular weight of 204.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone is sourced from PubChem (CID 102830634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).