4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

C13H16N6S — CID 103330800

IUPAC4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cn(C)nc2C)c2ccsc2n1
InChIInChI=1S/C13H16N6S/c1-4-14-13-16-11(9-5-6-20-12(9)17-13)15-10-7-19(3)18-8(10)2/h5-7H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyYBLKNHLWHDZFJE-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.91
Rot. Bonds4

About 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330800) has the molecular formula C13H16N6S and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330800
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(Nc2cn(C)nc2C)c2ccsc2n1
InChIInChI=1S/C13H16N6S/c1-4-14-13-16-11(9-5-6-20-12(9)17-13)15-10-7-19(3)18-8(10)2/h5-7H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyYBLKNHLWHDZFJE-UHFFFAOYSA-N
XLogP2.91
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(5-bromo-2-methylphenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325268
4-N-(2-bromophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323599
4-N-(2-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329248
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
2-N-ethyl-4-N-(2-pyrazol-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325853
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
4-N-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330803
4-N-(3-bromo-4-chlorophenyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329001

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330800) is 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(Nc2cn(C)nc2C)c2ccsc2n1.
What is the InChIKey of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YBLKNHLWHDZFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-4-14-13-16-11(9-5-6-20-12(9)17-13)15-10-7-19(3)18-8(10)2/h5-7H,4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 288.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).