[1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

C12H19FN4S — CID 114045567

IUPAC[1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2ncnc(C)c2F)CC1
InChIInChI=1S/C12H19FN4S/c1-9-10(13)11(16-8-15-9)17-5-3-12(7-14,18-2)4-6-17/h8H,3-7,14H2,1-2H3
InChIKeyZRHGCZHCQDFWIC-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.58
Rot. Bonds3

About [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

[1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (PubChem CID 114045567) has the molecular formula C12H19FN4S and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
PubChem CID114045567
Molecular FormulaC12H19FN4S
Molecular Weight270.38 g/mol
Exact Mass270.13
IUPAC Name[1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2ncnc(C)c2F)CC1
InChIInChI=1S/C12H19FN4S/c1-9-10(13)11(16-8-15-9)17-5-3-12(7-14,18-2)4-6-17/h8H,3-7,14H2,1-2H3
InChIKeyZRHGCZHCQDFWIC-UHFFFAOYSA-N
XLogP1.58
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (CID 114045567) is [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is CSC1(CN)CCN(c2ncnc(C)c2F)CC1.
What is the InChIKey of [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The InChIKey is ZRHGCZHCQDFWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN4S/c1-9-10(13)11(16-8-15-9)17-5-3-12(7-14,18-2)4-6-17/h8H,3-7,14H2,1-2H3.
What are the key properties of [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
[1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine has a molecular weight of 270.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-6-methylpyrimidin-4-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is sourced from PubChem (CID 114045567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).