4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine

C15H24FN3S — CID 105390479

IUPAC4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCSCCC(C)N(C)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C15H24FN3S/c1-11(7-9-20-3)19(2)15-14(16)12(6-8-17-15)10-18-13-4-5-13/h6,8,11,13,18H,4-5,7,9-10H2,1-3H3
InChIKeyUDKCTRAWPYYTBH-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.05
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine

4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine (PubChem CID 105390479) has the molecular formula C15H24FN3S and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
PubChem CID105390479
Molecular FormulaC15H24FN3S
Molecular Weight297.44 g/mol
Exact Mass297.17
IUPAC Name4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCSCCC(C)N(C)c1nccc(CNC2CC2)c1F
InChIInChI=1S/C15H24FN3S/c1-11(7-9-20-3)19(2)15-14(16)12(6-8-17-15)10-18-13-4-5-13/h6,8,11,13,18H,4-5,7,9-10H2,1-3H3
InChIKeyUDKCTRAWPYYTBH-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105388956
3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105390476
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 105389047
3-fluoro-2-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 105382713
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105389566
4-[(cyclopropylamino)methyl]-3-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 105389282
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391467
N-[[2-(1-ethoxypropan-2-yloxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 103490368
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 105389144
4-(ethylaminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105389605
3-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 105390310
3-[(cyclopropylamino)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 62284786

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine (CID 105390479) is 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine is CSCCC(C)N(C)c1nccc(CNC2CC2)c1F.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine?
The InChIKey is UDKCTRAWPYYTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3S/c1-11(7-9-20-3)19(2)15-14(16)12(6-8-17-15)10-18-13-4-5-13/h6,8,11,13,18H,4-5,7,9-10H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine?
4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine has a molecular weight of 297.44 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-3-fluoro-N-methyl-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 105390479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).