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

C10H8IN5S — CID 103331135

IUPAC4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(-n3cc(I)cn3)nc(N)nc2s1
InChIInChI=1S/C10H8IN5S/c1-5-2-7-8(16-4-6(11)3-13-16)14-10(12)15-9(7)17-5/h2-4H,1H3,(H2,12,14,15)
InChIKeyDXNJDYLZWAURTL-UHFFFAOYSA-N
MW357.18 g/mol
LogP2.37
Rot. Bonds1

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

4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331135) has the molecular formula C10H8IN5S and a molecular weight of 357.18 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103331135
Molecular FormulaC10H8IN5S
Molecular Weight357.18 g/mol
Exact Mass356.95
IUPAC Name4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(-n3cc(I)cn3)nc(N)nc2s1
InChIInChI=1S/C10H8IN5S/c1-5-2-7-8(16-4-6(11)3-13-16)14-10(12)15-9(7)17-5/h2-4H,1H3,(H2,12,14,15)
InChIKeyDXNJDYLZWAURTL-UHFFFAOYSA-N
XLogP2.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 52.37
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)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331139
6-methyl-4-(3-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331102
4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331134
6-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103323793
4-(4,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103327461
6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103328647
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 103323978
N-ethyl-6-methyl-4-(4-methylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103330991
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103328315
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008
6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327825
6-methyl-4-(2-propylimidazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331121

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine (CID 103331135) is 4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(-n3cc(I)cn3)nc(N)nc2s1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is DXNJDYLZWAURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IN5S/c1-5-2-7-8(16-4-6(11)3-13-16)14-10(12)15-9(7)17-5/h2-4H,1H3,(H2,12,14,15).
What are the key properties of 4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine?
4-(4-iodopyrazol-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 357.18 g/mol, XLogP of 2.37, 1 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)-6-methylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).