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

C9H6IN5S — CID 103331134

IUPAC4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(-n2cc(I)cn2)c2ccsc2n1
InChIInChI=1S/C9H6IN5S/c10-5-3-12-15(4-5)7-6-1-2-16-8(6)14-9(11)13-7/h1-4H,(H2,11,13,14)
InChIKeyPWYZQELYNJQTFI-UHFFFAOYSA-N
MW343.15 g/mol
LogP2.06
Rot. Bonds1

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

4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103331134) has the molecular formula C9H6IN5S and a molecular weight of 343.15 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103331134
Molecular FormulaC9H6IN5S
Molecular Weight343.15 g/mol
Exact Mass342.94
IUPAC Name4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(-n2cc(I)cn2)c2ccsc2n1
InChIInChI=1S/C9H6IN5S/c10-5-3-12-15(4-5)7-6-1-2-16-8(6)14-9(11)13-7/h1-4H,(H2,11,13,14)
InChIKeyPWYZQELYNJQTFI-UHFFFAOYSA-N
XLogP2.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.15
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine (CID 103331134) is 4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine is Nc1nc(-n2cc(I)cn2)c2ccsc2n1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is PWYZQELYNJQTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6IN5S/c10-5-3-12-15(4-5)7-6-1-2-16-8(6)14-9(11)13-7/h1-4H,(H2,11,13,14).
What are the key properties of 4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine?
4-(4-iodopyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 343.15 g/mol, XLogP of 2.06, 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)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103331134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).