2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C10H9N3O2S — CID 70623095

IUPAC2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1sccc1-c1ncc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2S/c1-5-6(2-3-16-5)9-12-4-7(8(11)14)10(15)13-9/h2-4H,1H3,(H2,11,14)(H,12,13,15)
InChIKeyLRIYTLRZTVRJMC-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.91
Rot. Bonds2

About 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70623095) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70623095
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1sccc1-c1ncc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C10H9N3O2S/c1-5-6(2-3-16-5)9-12-4-7(8(11)14)10(15)13-9/h2-4H,1H3,(H2,11,14)(H,12,13,15)
InChIKeyLRIYTLRZTVRJMC-UHFFFAOYSA-N
XLogP0.91
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70623095) is 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide is Cc1sccc1-c1ncc(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is LRIYTLRZTVRJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-5-6(2-3-16-5)9-12-4-7(8(11)14)10(15)13-9/h2-4H,1H3,(H2,11,14)(H,12,13,15).
What are the key properties of 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70623095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).