5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

C16H18ClFN4 — CID 122557818

IUPAC5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESFc1ccccc1CN1CCCC(Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C16H18ClFN4/c17-13-8-19-16(20-9-13)21-14-5-3-7-22(11-14)10-12-4-1-2-6-15(12)18/h1-2,4,6,8-9,14H,3,5,7,10-11H2,(H,19,20,21)
InChIKeySGPUUURULRYKLW-UHFFFAOYSA-N
MW320.80 g/mol
LogP3.35
Rot. Bonds4

About 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 122557818) has the molecular formula C16H18ClFN4 and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID122557818
Molecular FormulaC16H18ClFN4
Molecular Weight320.80 g/mol
Exact Mass320.12
IUPAC Name5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
SMILESFc1ccccc1CN1CCCC(Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C16H18ClFN4/c17-13-8-19-16(20-9-13)21-14-5-3-7-22(11-14)10-12-4-1-2-6-15(12)18/h1-2,4,6,8-9,14H,3,5,7,10-11H2,(H,19,20,21)
InChIKeySGPUUURULRYKLW-UHFFFAOYSA-N
XLogP3.35
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
5-fluoro-N-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methyl]pyrimidin-2-amine
CID 49857096
US9205085, Msx-197
CID 49857485
US9205085, Msx-222
CID 49857486
US9205085, Msx-193
CID 49857681
2-(4-Benzylpiperazin-1-yl)pyrimidine
CID 3716622
Pyrimidine, 2-((1-benzyl-4-piperidyl)amino)-
CID 3059129
4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine
CID 112885084
2-[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 750850
2-[4-[(2-Fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 764708
2-[4-[(4-Chlorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 2838383
N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 462458

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine (CID 122557818) is 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine is Fc1ccccc1CN1CCCC(Nc2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is SGPUUURULRYKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4/c17-13-8-19-16(20-9-13)21-14-5-3-7-22(11-14)10-12-4-1-2-6-15(12)18/h1-2,4,6,8-9,14H,3,5,7,10-11H2,(H,19,20,21).
What are the key properties of 5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine?
5-chloro-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 320.80 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 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-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 122557818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).