[1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

C11H17FN4S — CID 104606069

IUPAC[1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H17FN4S/c1-17-11(8-13)2-4-16(5-3-11)10-14-6-9(12)7-15-10/h6-7H,2-5,8,13H2,1H3
InChIKeyRTFRZROQKHWHFG-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds3

About [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine

[1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (PubChem CID 104606069) has the molecular formula C11H17FN4S and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
PubChem CID104606069
Molecular FormulaC11H17FN4S
Molecular Weight256.35 g/mol
Exact Mass256.12
IUPAC Name[1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H17FN4S/c1-17-11(8-13)2-4-16(5-3-11)10-14-6-9(12)7-15-10/h6-7H,2-5,8,13H2,1H3
InChIKeyRTFRZROQKHWHFG-UHFFFAOYSA-N
XLogP1.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
N-methyl-2-piperidin-1-yl-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 46963072
5-Methyl-4-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-amine
CID 72872800
1-(5-Fluoro-2-(methylthio)pyrimidin-4-yl)piperidin-4-amine
CID 129853729
2-{[2-(Propylthio)pyrimidin-5-yl]methyl}-2,8-diazaspiro[4.5]decane
CID 56712606
5-Fluoro-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 43822498
N-((1-(5-fluoropyrimidin-2-yl)piperidin-4-yl)methyl)propane-1-sulfonamide
CID 91814123
N~2~-{[1-(cyclopropylmethyl)piperidin-4-yl]methyl}-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 122556027
4-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 15907833
5-fluoro-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 22135716
5-Fluoro-2-(2-propylpiperazin-1-yl)pyrimidine
CID 67923914
4-[4-[(Dimethylamino)methyl]piperidin-1-yl]-5-fluoropyrimidin-2-amine
CID 70976708

Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine (CID 104606069) is [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is CSC1(CN)CCN(c2ncc(F)cn2)CC1.
What is the InChIKey of [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
The InChIKey is RTFRZROQKHWHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4S/c1-17-11(8-13)2-4-16(5-3-11)10-14-6-9(12)7-15-10/h6-7H,2-5,8,13H2,1H3.
What are the key properties of [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine?
[1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine has a molecular weight of 256.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine is sourced from PubChem (CID 104606069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).