4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile

C10H8N4OS — CID 115143516

IUPAC4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCN(c1cc(C#N)[nH]c(=O)n1)c1cccs1
InChIInChI=1S/C10H8N4OS/c1-14(9-3-2-4-16-9)8-5-7(6-11)12-10(15)13-8/h2-5H,1H3,(H,12,13,15)
InChIKeyWXCBAHRZURTHBH-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.47
Rot. Bonds2

About 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile

4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile (PubChem CID 115143516) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
PubChem CID115143516
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile
SMILESCN(c1cc(C#N)[nH]c(=O)n1)c1cccs1
InChIInChI=1S/C10H8N4OS/c1-14(9-3-2-4-16-9)8-5-7(6-11)12-10(15)13-8/h2-5H,1H3,(H,12,13,15)
InChIKeyWXCBAHRZURTHBH-UHFFFAOYSA-N
XLogP1.47
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The IUPAC name of 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile (CID 115143516) is 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile.
What is the SMILES notation for 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The canonical SMILES for 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile is CN(c1cc(C#N)[nH]c(=O)n1)c1cccs1.
What is the InChIKey of 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
The InChIKey is WXCBAHRZURTHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c1-14(9-3-2-4-16-9)8-5-7(6-11)12-10(15)13-8/h2-5H,1H3,(H,12,13,15).
What are the key properties of 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile?
4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(thiophen-2-yl)amino]-2-oxo-1H-pyrimidine-6-carbonitrile is sourced from PubChem (CID 115143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).