N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine

C18H23FN4S — CID 118190313

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
SMILESCSc1nccc(N2CCC(N(C)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H23FN4S/c1-22(13-14-4-3-5-15(19)12-14)16-7-10-23(11-8-16)17-6-9-20-18(21-17)24-2/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3
InChIKeyURWJCZMWNWXGOG-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.44
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine

N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 118190313) has the molecular formula C18H23FN4S and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
PubChem CID118190313
Molecular FormulaC18H23FN4S
Molecular Weight346.48 g/mol
Exact Mass346.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine
SMILESCSc1nccc(N2CCC(N(C)Cc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H23FN4S/c1-22(13-14-4-3-5-15(19)12-14)16-7-10-23(11-8-16)17-6-9-20-18(21-17)24-2/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3
InChIKeyURWJCZMWNWXGOG-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
N*2*-Phenethyl-N*4*-((S)-1-phenyl-ethyl)-pyrimidine-2,4-diamine
CID 44393180
US9205085, Msx-197
CID 49857485
US9205085, Msx-222
CID 49857486
US9205085, Msx-193
CID 49857681
2-[4-[(3-Methylphenyl)methyl]piperazin-1-yl]pyrimidine
CID 750803
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
N-benzyl-2-thiomorpholinopyrimidin-4-amine
CID 46871648
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
4-[2,2-dimethylpropyl-[[4-[(E)-3-(4-piperidin-1-ylpiperidin-1-yl)prop-1-enyl]phenyl]methyl]amino]pyrimidine-2-carbonitrile
CID 10051123
N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]-4-methylsulfanylpyrimidin-2-amine
CID 49857686

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine (CID 118190313) is N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine is CSc1nccc(N2CCC(N(C)Cc3cccc(F)c3)CC2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is URWJCZMWNWXGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4S/c1-22(13-14-4-3-5-15(19)12-14)16-7-10-23(11-8-16)17-6-9-20-18(21-17)24-2/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine?
N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 346.48 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 118190313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).