1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine

C18H30N4O2S — CID 69192111

IUPAC1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCCCCS(=O)CCCn1c(CCOC)nc2c(N)nc(C)c(C)c21
InChIInChI=1S/C18H30N4O2S/c1-5-6-11-25(23)12-7-9-22-15(8-10-24-4)21-16-17(22)13(2)14(3)20-18(16)19/h5-12H2,1-4H3,(H2,19,20)
InChIKeySFAYEHOFBLVWNV-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.76
Rot. Bonds10

About 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine

1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69192111) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID69192111
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCCCCS(=O)CCCn1c(CCOC)nc2c(N)nc(C)c(C)c21
InChIInChI=1S/C18H30N4O2S/c1-5-6-11-25(23)12-7-9-22-15(8-10-24-4)21-16-17(22)13(2)14(3)20-18(16)19/h5-12H2,1-4H3,(H2,19,20)
InChIKeySFAYEHOFBLVWNV-UHFFFAOYSA-N
XLogP2.76
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine (CID 69192111) is 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is CCCCS(=O)CCCn1c(CCOC)nc2c(N)nc(C)c(C)c21.
What is the InChIKey of 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is SFAYEHOFBLVWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-5-6-11-25(23)12-7-9-22-15(8-10-24-4)21-16-17(22)13(2)14(3)20-18(16)19/h5-12H2,1-4H3,(H2,19,20).
What are the key properties of 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine?
1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 366.53 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butylsulfinylpropyl)-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69192111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).