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

C15H15IN4S — CID 81148158

IUPAC5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cnc3ccsc3c2)nc(C)c1I
InChIInChI=1S/C15H15IN4S/c1-3-5-17-15-13(16)9(2)19-14(20-15)10-7-12-11(18-8-10)4-6-21-12/h4,6-8H,3,5H2,1-2H3,(H,17,19,20)
InChIKeyDTCRPTVZIYRPPN-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.49
Rot. Bonds4

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

5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (PubChem CID 81148158) has the molecular formula C15H15IN4S and a molecular weight of 410.28 g/mol. Its IUPAC name is 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
PubChem CID81148158
Molecular FormulaC15H15IN4S
Molecular Weight410.28 g/mol
Exact Mass410.01
IUPAC Name5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cnc3ccsc3c2)nc(C)c1I
InChIInChI=1S/C15H15IN4S/c1-3-5-17-15-13(16)9(2)19-14(20-15)10-7-12-11(18-8-10)4-6-21-12/h4,6-8H,3,5H2,1-2H3,(H,17,19,20)
InChIKeyDTCRPTVZIYRPPN-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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-ethyl-N,6-dimethyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81143822
5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148160
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
2-(3,5-difluorophenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66307321
5-iodo-N-methyl-6-propan-2-yl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81147116
2-(5-fluoro-2-methylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305737
2-(furan-3-yl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66305936
5-iodo-6-methyl-N-propyl-2-pyrimidin-2-ylpyrimidin-4-amine
CID 66306328
N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine
CID 81146701
2-(2,5-dimethylphenyl)-5-iodo-6-methyl-N-propylpyrimidin-4-amine
CID 66297674
5-bromo-6-(methoxymethyl)-N-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81147117
4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile
CID 116647000

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The IUPAC name of 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine (CID 81148158) is 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is CCCNc1nc(-c2cnc3ccsc3c2)nc(C)c1I.
What is the InChIKey of 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
The InChIKey is DTCRPTVZIYRPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN4S/c1-3-5-17-15-13(16)9(2)19-14(20-15)10-7-12-11(18-8-10)4-6-21-12/h4,6-8H,3,5H2,1-2H3,(H,17,19,20).
What are the key properties of 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine?
5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine has a molecular weight of 410.28 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine is sourced from PubChem (CID 81148158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).