2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile

C16H12N4S — CID 166629417

IUPAC2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2ccsc2)n1
InChIInChI=1S/C16H12N4S/c1-18-16-19-14(11-5-3-2-4-6-11)13(9-17)15(20-16)12-7-8-21-10-12/h2-8,10H,1H3,(H,18,19,20)
InChIKeyOUWOSHJXSMKNKU-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.79
Rot. Bonds3

About 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile

2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile (PubChem CID 166629417) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile
PubChem CID166629417
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile
SMILESCNc1nc(-c2ccccc2)c(C#N)c(-c2ccsc2)n1
InChIInChI=1S/C16H12N4S/c1-18-16-19-14(11-5-3-2-4-6-11)13(9-17)15(20-16)12-7-8-21-10-12/h2-8,10H,1H3,(H,18,19,20)
InChIKeyOUWOSHJXSMKNKU-UHFFFAOYSA-N
XLogP3.79
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile (CID 166629417) is 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile is CNc1nc(-c2ccccc2)c(C#N)c(-c2ccsc2)n1.
What is the InChIKey of 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile?
The InChIKey is OUWOSHJXSMKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-18-16-19-14(11-5-3-2-4-6-11)13(9-17)15(20-16)12-7-8-21-10-12/h2-8,10H,1H3,(H,18,19,20).
What are the key properties of 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile?
2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile has a molecular weight of 292.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-phenyl-6-thiophen-3-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166629417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).