N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

C12H11F3N4 — CID 64586478

IUPACN-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNCc1cccc(Nc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)10-4-5-17-11(19-10)18-9-3-1-2-8(6-9)7-16/h1-6H,7,16H2,(H,17,18,19)
InChIKeyJSWBCCNWGRQRAT-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.70
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64586478) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64586478
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC NameN-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNCc1cccc(Nc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C12H11F3N4/c13-12(14,15)10-4-5-17-11(19-10)18-9-3-1-2-8(6-9)7-16/h1-6H,7,16H2,(H,17,18,19)
InChIKeyJSWBCCNWGRQRAT-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenol
CID 129010750
3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 129010764
N-[3-(aminomethyl)phenyl]-4,6-dichloro-1,3,5-triazin-2-amine
CID 170875456
[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methanol
CID 154462205
1,1,1,3,3,3-hexafluoro-2-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]propan-2-ol
CID 118307643
3-(aminomethyl)-N-[3-(aminomethyl)phenyl]aniline
CID 174680323
3-[5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]propanoic acid
CID 118092554
2-fluoro-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]benzoic acid
CID 107793354
N-[2-(trifluoromethyl)-4-pyridinyl]pyrimidin-2-amine
CID 10944517
1-methyl-5-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridin-2-one
CID 118092635
1-[4-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]phenyl]cyclopropane-1-carboxamide
CID 118307519
N-[3-(2-cyclopropyl-1,3-thiazol-5-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157362414

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 64586478) is N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine is NCc1cccc(Nc2nccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is JSWBCCNWGRQRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c13-12(14,15)10-4-5-17-11(19-10)18-9-3-1-2-8(6-9)7-16/h1-6H,7,16H2,(H,17,18,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64586478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).