2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine

C17H20N2OS — CID 63538557

IUPAC2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCc1cccc(CSc2ccc(N)c(OCC3CC3)n2)c1
InChIInChI=1S/C17H20N2OS/c1-12-3-2-4-14(9-12)11-21-16-8-7-15(18)17(19-16)20-10-13-5-6-13/h2-4,7-9,13H,5-6,10-11,18H2,1H3
InChIKeyUGJPRJRTWFUKRX-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.05
Rot. Bonds6

About 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine

2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 63538557) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID63538557
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCc1cccc(CSc2ccc(N)c(OCC3CC3)n2)c1
InChIInChI=1S/C17H20N2OS/c1-12-3-2-4-14(9-12)11-21-16-8-7-15(18)17(19-16)20-10-13-5-6-13/h2-4,7-9,13H,5-6,10-11,18H2,1H3
InChIKeyUGJPRJRTWFUKRX-UHFFFAOYSA-N
XLogP4.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine (CID 63538557) is 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine is Cc1cccc(CSc2ccc(N)c(OCC3CC3)n2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is UGJPRJRTWFUKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-3-2-4-14(9-12)11-21-16-8-7-15(18)17(19-16)20-10-13-5-6-13/h2-4,7-9,13H,5-6,10-11,18H2,1H3.
What are the key properties of 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine?
2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 300.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-6-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 63538557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).