2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine

C18H24N6O2S — CID 69410770

IUPAC2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)ncc(C)c2n1CCCCS(=O)c1ncccn1
InChIInChI=1S/C18H24N6O2S/c1-13-12-22-17(19)15-16(13)24(14(23-15)6-10-26-2)9-3-4-11-27(25)18-20-7-5-8-21-18/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H2,19,22)
InChIKeyFJDPXXDUQSTOAC-UHFFFAOYSA-N
MW388.50 g/mol
LogP1.89
Rot. Bonds9

About 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine

2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 69410770) has the molecular formula C18H24N6O2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine
PubChem CID69410770
Molecular FormulaC18H24N6O2S
Molecular Weight388.50 g/mol
Exact Mass388.17
IUPAC Name2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)ncc(C)c2n1CCCCS(=O)c1ncccn1
InChIInChI=1S/C18H24N6O2S/c1-13-12-22-17(19)15-16(13)24(14(23-15)6-10-26-2)9-3-4-11-27(25)18-20-7-5-8-21-18/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H2,19,22)
InChIKeyFJDPXXDUQSTOAC-UHFFFAOYSA-N
XLogP1.89
TPSA108.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2,4-dichlorophenyl)sulfonylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
CID 69193937
1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
CID 69193299
1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
CID 69193206
1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69192111
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255
7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridine
CID 141082402
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-4-chlorobenzenesulfinamide
CID 142033161
1-[4-[4-amino-2-(2-methoxyethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]butyl]-3-phenylthiourea
CID 23497561
N-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N-(1,1-dioxothiophen-3-yl)acetamide
CID 175017580
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-pyridin-3-ylthiourea
CID 23497578
3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide
CID 68818570
1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69411241

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine (CID 69410770) is 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine is COCCc1nc2c(N)ncc(C)c2n1CCCCS(=O)c1ncccn1.
What is the InChIKey of 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is FJDPXXDUQSTOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2S/c1-13-12-22-17(19)15-16(13)24(14(23-15)6-10-26-2)9-3-4-11-27(25)18-20-7-5-8-21-18/h5,7-8,12H,3-4,6,9-11H2,1-2H3,(H2,19,22).
What are the key properties of 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine?
2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 388.50 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-methyl-1-(4-pyrimidin-2-ylsulfinylbutyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69410770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).