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

C15H15IN4S — CID 81148160

IUPAC5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2cnc3ccsc3c2)nc(NC)c1I
InChIInChI=1S/C15H15IN4S/c1-3-4-11-13(16)15(17-2)20-14(19-11)9-7-12-10(18-8-9)5-6-21-12/h5-8H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyHGIVMLIIKIMNHR-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.35
Rot. Bonds4

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

5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (PubChem CID 81148160) has the molecular formula C15H15IN4S and a molecular weight of 410.28 g/mol. Its IUPAC name is 5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
PubChem CID81148160
Molecular FormulaC15H15IN4S
Molecular Weight410.28 g/mol
Exact Mass410.01
IUPAC Name5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2cnc3ccsc3c2)nc(NC)c1I
InChIInChI=1S/C15H15IN4S/c1-3-4-11-13(16)15(17-2)20-14(19-11)9-7-12-10(18-8-9)5-6-21-12/h5-8H,3-4H2,1-2H3,(H,17,19,20)
InChIKeyHGIVMLIIKIMNHR-UHFFFAOYSA-N
XLogP4.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81147116
5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81147117
5-ethyl-N,6-dimethyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81143822
5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148158
N-methyl-2-thieno[3,2-b]pyridin-6-yl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 81148282
2-(4-chlorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66305986
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
5-iodo-N-methyl-6-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66295569
2-(2,5-dimethylthiophen-3-yl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297690
N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine
CID 81143145
N-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)pentan-2-amine
CID 81147624

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (CID 81148160) is 5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is CCCc1nc(-c2cnc3ccsc3c2)nc(NC)c1I.
What is the InChIKey of 5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The InChIKey is HGIVMLIIKIMNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN4S/c1-3-4-11-13(16)15(17-2)20-14(19-11)9-7-12-10(18-8-9)5-6-21-12/h5-8H,3-4H2,1-2H3,(H,17,19,20).
What are the key properties of 5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine has a molecular weight of 410.28 g/mol, XLogP of 4.35, 4 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-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 81148160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).