3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile

C15H10N4S — CID 114552908

IUPAC3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ncccn2)c(-c2ccccc2)c1N
InChIInChI=1S/C15H10N4S/c16-9-11-13(17)12(10-5-2-1-3-6-10)14(20-11)15-18-7-4-8-19-15/h1-8H,17H2
InChIKeyWQTIGODEYJRASS-UHFFFAOYSA-N
MW278.34 g/mol
LogP3.33
Rot. Bonds2

About 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile

3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile (PubChem CID 114552908) has the molecular formula C15H10N4S and a molecular weight of 278.34 g/mol. Its IUPAC name is 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile
PubChem CID114552908
Molecular FormulaC15H10N4S
Molecular Weight278.34 g/mol
Exact Mass278.06
IUPAC Name3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ncccn2)c(-c2ccccc2)c1N
InChIInChI=1S/C15H10N4S/c16-9-11-13(17)12(10-5-2-1-3-6-10)14(20-11)15-18-7-4-8-19-15/h1-8H,17H2
InChIKeyWQTIGODEYJRASS-UHFFFAOYSA-N
XLogP3.33
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(furan-2-yl)-4-phenylthiophene-2-carbonitrile
CID 55038271
3-amino-5-(5-methylfuran-3-yl)-4-phenylthiophene-2-carbonitrile
CID 114822825
3-amino-5-(2-chlorophenyl)-4-pyridin-4-ylthiophene-2-carbonitrile
CID 80525488
3-amino-5-(3-ethylthiophen-2-yl)-4-phenylthiophene-2-carbonitrile
CID 79975065
3-amino-4-propyl-5-pyrimidin-2-ylthiophene-2-carbonitrile
CID 114552910
3-amino-5-(3-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 81125897
3-amino-5-(5-bromofuran-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 80523309
3-amino-5-(4-methoxythiophen-2-yl)-4-pyridin-3-ylthiophene-2-carbonitrile
CID 81125896
2-amino-5-methyl-4-phenylthiophene-3-carbonitrile
CID 672397
2-phenylpyrimidine
CID 593578
3-amino-8-phenyl-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraene-4-carbonitrile
CID 1472699
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile?
The IUPAC name of 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile (CID 114552908) is 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile?
The canonical SMILES for 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile is N#Cc1sc(-c2ncccn2)c(-c2ccccc2)c1N.
What is the InChIKey of 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile?
The InChIKey is WQTIGODEYJRASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S/c16-9-11-13(17)12(10-5-2-1-3-6-10)14(20-11)15-18-7-4-8-19-15/h1-8H,17H2.
What are the key properties of 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile?
3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile has a molecular weight of 278.34 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-phenyl-5-pyrimidin-2-ylthiophene-2-carbonitrile is sourced from PubChem (CID 114552908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).