5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine

C17H20ClFN4 — CID 155981420

IUPAC5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H20ClFN4/c1-22(17-20-10-14(18)11-21-17)15-6-8-23(9-7-15)12-13-4-2-3-5-16(13)19/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyZSSZZKDYXHUTNY-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.37
Rot. Bonds4

About 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine

5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 155981420) has the molecular formula C17H20ClFN4 and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID155981420
Molecular FormulaC17H20ClFN4
Molecular Weight334.83 g/mol
Exact Mass334.14
IUPAC Name5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C17H20ClFN4/c1-22(17-20-10-14(18)11-21-17)15-6-8-23(9-7-15)12-13-4-2-3-5-16(13)19/h2-5,10-11,15H,6-9,12H2,1H3
InChIKeyZSSZZKDYXHUTNY-UHFFFAOYSA-N
XLogP3.37
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729
N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328091
5-chloro-N-methyl-N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 163354531
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 122557818
N-benzyl-1-[(2-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 754214
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
5-chloro-N-methyl-N-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 155980999
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
CID 171691306
1-[4-[(5-chloropyrimidin-2-yl)-methylamino]piperidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 155800879
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
[2-(4-chlorophenyl)cyclopropyl]-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19327388

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine (CID 155981420) is 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is ZSSZZKDYXHUTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4/c1-22(17-20-10-14(18)11-21-17)15-6-8-23(9-7-15)12-13-4-2-3-5-16(13)19/h2-5,10-11,15H,6-9,12H2,1H3.
What are the key properties of 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 334.83 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 155981420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).