4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

C19H18F3N5 — CID 68761295

IUPAC4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC(Nc1nc(CN)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccn1
InChIInChI=1S/C19H18F3N5/c1-12(16-4-2-3-9-24-16)25-18-26-15(11-23)10-17(27-18)13-5-7-14(8-6-13)19(20,21)22/h2-10,12H,11,23H2,1H3,(H,25,26,27)
InChIKeyREWVWRAKJHVLJP-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.19
Rot. Bonds5

About 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 68761295) has the molecular formula C19H18F3N5 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID68761295
Molecular FormulaC19H18F3N5
Molecular Weight373.38 g/mol
Exact Mass373.15
IUPAC Name4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC(Nc1nc(CN)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccn1
InChIInChI=1S/C19H18F3N5/c1-12(16-4-2-3-9-24-16)25-18-26-15(11-23)10-17(27-18)13-5-7-14(8-6-13)19(20,21)22/h2-10,12H,11,23H2,1H3,(H,25,26,27)
InChIKeyREWVWRAKJHVLJP-UHFFFAOYSA-N
XLogP4.19
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
3-amino-5-[2-(1-pyridin-2-ylethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one
CID 24860064
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521
6-hydrazinyl-N-(1-pyridin-2-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775355
2-nitro-N-[(1S)-1-pyridin-2-ylethyl]-4-(trifluoromethyl)aniline
CID 40714525
(1R)-1-[4-methoxy-3-[4-(trifluoromethyl)phenyl]phenyl]-N-(1-pyridin-2-ylethyl)ethanamine
CID 45378002
2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162046659
ethane;pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 145107737
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
(1R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-pyridin-2-ylethanamine
CID 115350727
(S)-pyridin-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 71164818
4-(2-methyl-1,3-thiazol-4-yl)-N-(1-pyridin-2-ylethyl)aniline
CID 43205876

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 68761295) is 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is CC(Nc1nc(CN)cc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccn1.
What is the InChIKey of 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is REWVWRAKJHVLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5/c1-12(16-4-2-3-9-24-16)25-18-26-15(11-23)10-17(27-18)13-5-7-14(8-6-13)19(20,21)22/h2-10,12H,11,23H2,1H3,(H,25,26,27).
What are the key properties of 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 373.38 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-pyridin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 68761295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).