4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile

C14H11N5S — CID 103327486

IUPAC4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1nc(N)nc2sccc12
InChIInChI=1S/C14H11N5S/c1-19(10-4-2-9(8-15)3-5-10)12-11-6-7-20-13(11)18-14(16)17-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyPKNOMMXNAFAMLA-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.91
Rot. Bonds2

About 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile

4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile (PubChem CID 103327486) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile
PubChem CID103327486
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC Name4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1nc(N)nc2sccc12
InChIInChI=1S/C14H11N5S/c1-19(10-4-2-9(8-15)3-5-10)12-11-6-7-20-13(11)18-14(16)17-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyPKNOMMXNAFAMLA-UHFFFAOYSA-N
XLogP2.91
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321385
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)oxy-3-methoxybenzonitrile
CID 103331744
4-N-ethyl-4-N-(4-methylphenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327021
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 103468332
4-N-methyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325226
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)amino]-3-fluorobenzonitrile
CID 103329290
5-amino-2-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 62983158
3-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 103326449
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325263
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 103325810
4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327608
2-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 103325838

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile?
The IUPAC name of 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile (CID 103327486) is 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile.
What is the SMILES notation for 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile?
The canonical SMILES for 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile is CN(c1ccc(C#N)cc1)c1nc(N)nc2sccc12.
What is the InChIKey of 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile?
The InChIKey is PKNOMMXNAFAMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S/c1-19(10-4-2-9(8-15)3-5-10)12-11-6-7-20-13(11)18-14(16)17-12/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile?
4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile has a molecular weight of 281.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminothieno[2,3-d]pyrimidin-4-yl)-methylamino]benzonitrile is sourced from PubChem (CID 103327486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).