4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C13H16N6S — CID 103330803

IUPAC4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C)nc2C)c2cc(C)sc2n1
InChIInChI=1S/C13H16N6S/c1-7-5-9-11(15-10-6-19(4)18-8(10)2)16-13(14-3)17-12(9)20-7/h5-6H,1-4H3,(H2,14,15,16,17)
InChIKeyVBGOKXVATMVXFM-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.83
Rot. Bonds3

About 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330803) 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,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330803
Molecular FormulaC13H16N6S
Molecular Weight288.38 g/mol
Exact Mass288.12
IUPAC Name4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cn(C)nc2C)c2cc(C)sc2n1
InChIInChI=1S/C13H16N6S/c1-7-5-9-11(15-10-6-19(4)18-8(10)2)16-13(14-3)17-12(9)20-7/h5-6H,1-4H3,(H2,14,15,16,17)
InChIKeyVBGOKXVATMVXFM-UHFFFAOYSA-N
XLogP2.83
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330803) is 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2cn(C)nc2C)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is VBGOKXVATMVXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6S/c1-7-5-9-11(15-10-6-19(4)18-8(10)2)16-13(14-3)17-12(9)20-7/h5-6H,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 288.38 g/mol, XLogP of 2.83, 3 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,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).