5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine

C15H15IN4S — CID 81147116

IUPAC5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cnc3ccsc3c2)nc(C(C)C)c1I
InChIInChI=1S/C15H15IN4S/c1-8(2)13-12(16)15(17-3)20-14(19-13)9-6-11-10(18-7-9)4-5-21-11/h4-8H,1-3H3,(H,17,19,20)
InChIKeyLRUPJDJJIDJROU-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.52
Rot. Bonds3

About 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine

5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (PubChem CID 81147116) has the molecular formula C15H15IN4S and a molecular weight of 410.28 g/mol. Its IUPAC name is 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
PubChem CID81147116
Molecular FormulaC15H15IN4S
Molecular Weight410.28 g/mol
Exact Mass410.01
IUPAC Name5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESCNc1nc(-c2cnc3ccsc3c2)nc(C(C)C)c1I
InChIInChI=1S/C15H15IN4S/c1-8(2)13-12(16)15(17-3)20-14(19-13)9-6-11-10(18-7-9)4-5-21-11/h4-8H,1-3H3,(H,17,19,20)
InChIKeyLRUPJDJJIDJROU-UHFFFAOYSA-N
XLogP4.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (CID 81147116) is 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is CNc1nc(-c2cnc3ccsc3c2)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The InChIKey is LRUPJDJJIDJROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN4S/c1-8(2)13-12(16)15(17-3)20-14(19-13)9-6-11-10(18-7-9)4-5-21-11/h4-8H,1-3H3,(H,17,19,20).
What are the key properties of 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine has a molecular weight of 410.28 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 81147116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).