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

C10H7N3OS — CID 70623240

IUPAC2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1sccc1-c1ncc(C#N)c(=O)[nH]1
InChIInChI=1S/C10H7N3OS/c1-6-8(2-3-15-6)9-12-5-7(4-11)10(14)13-9/h2-3,5H,1H3,(H,12,13,14)
InChIKeyUEQGMRXRVVXAMR-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.68
Rot. Bonds1

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

2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 70623240) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID70623240
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1sccc1-c1ncc(C#N)c(=O)[nH]1
InChIInChI=1S/C10H7N3OS/c1-6-8(2-3-15-6)9-12-5-7(4-11)10(14)13-9/h2-3,5H,1H3,(H,12,13,14)
InChIKeyUEQGMRXRVVXAMR-UHFFFAOYSA-N
XLogP1.68
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
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-carbonitrile?
The IUPAC name of 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 70623240) is 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile is Cc1sccc1-c1ncc(C#N)c(=O)[nH]1.
What is the InChIKey of 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is UEQGMRXRVVXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-6-8(2-3-15-6)9-12-5-7(4-11)10(14)13-9/h2-3,5H,1H3,(H,12,13,14).
What are the key properties of 2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
2-(2-methylthiophen-3-yl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 217.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 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-carbonitrile is sourced from PubChem (CID 70623240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).