N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine

C14H14F3N3 — CID 62757672

IUPACN-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C14H14F3N3/c1-2-18-7-10-8-19-13(20-9-10)11-4-3-5-12(6-11)14(15,16)17/h3-6,8-9,18H,2,7H2,1H3
InChIKeyNIBUXJWWMGUFGI-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.27
Rot. Bonds4

About N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine

N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine (PubChem CID 62757672) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
PubChem CID62757672
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(-c2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C14H14F3N3/c1-2-18-7-10-8-19-13(20-9-10)11-4-3-5-12(6-11)14(15,16)17/h3-6,8-9,18H,2,7H2,1H3
InChIKeyNIBUXJWWMGUFGI-UHFFFAOYSA-N
XLogP3.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
ethyl 2-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 150465192
N-[[4-methyl-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 105408643
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
N-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484566
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
N-[[2-(3,5-difluorophenyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755684
5-(4-tert-butylphenyl)-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 101484200
N-[[2-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62587369
N-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841335
N'-ethyl-N'-methyl-N-[[2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
CID 162549188
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine (CID 62757672) is N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(-c2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is NIBUXJWWMGUFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-2-18-7-10-8-19-13(20-9-10)11-4-3-5-12(6-11)14(15,16)17/h3-6,8-9,18H,2,7H2,1H3.
What are the key properties of N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine?
N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 281.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 62757672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).