4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

C11H10IN5S — CID 103331139

IUPAC4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(-n2cc(I)cn2)c2cc(C)sc2n1
InChIInChI=1S/C11H10IN5S/c1-6-3-8-9(17-5-7(12)4-14-17)15-11(13-2)16-10(8)18-6/h3-5H,1-2H3,(H,13,15,16)
InChIKeyWWDKNEKNEHFRNK-UHFFFAOYSA-N
MW371.21 g/mol
LogP2.83
Rot. Bonds2

About 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331139) has the molecular formula C11H10IN5S and a molecular weight of 371.21 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331139
Molecular FormulaC11H10IN5S
Molecular Weight371.21 g/mol
Exact Mass370.97
IUPAC Name4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(-n2cc(I)cn2)c2cc(C)sc2n1
InChIInChI=1S/C11H10IN5S/c1-6-3-8-9(17-5-7(12)4-14-17)15-11(13-2)16-10(8)18-6/h3-5H,1-2H3,(H,13,15,16)
InChIKeyWWDKNEKNEHFRNK-UHFFFAOYSA-N
XLogP2.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331135
N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331095
N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330991
4-(3,4-dimethylpyrrolidin-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103328825
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008
1-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]pyrazole-4-carboxamide
CID 103331164
2-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103329718
1-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 103327446
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103329896
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103327562
4-(2-ethylthiomorpholin-4-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103330530

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103331139) is 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(-n2cc(I)cn2)c2cc(C)sc2n1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WWDKNEKNEHFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN5S/c1-6-3-8-9(17-5-7(12)4-14-17)15-11(13-2)16-10(8)18-6/h3-5H,1-2H3,(H,13,15,16).
What are the key properties of 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 371.21 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).