N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H11F4N3 — CID 3242161

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H11F4N3/c1-8-6-11(13(15,16)17)20-12(19-8)18-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyLCUHUDGTVFKIKD-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.56
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine

N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 3242161) has the molecular formula C13H11F4N3 and a molecular weight of 285.24 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID3242161
Molecular FormulaC13H11F4N3
Molecular Weight285.24 g/mol
Exact Mass285.09
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1
InChIInChI=1S/C13H11F4N3/c1-8-6-11(13(15,16)17)20-12(19-8)18-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyLCUHUDGTVFKIKD-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 3242161) is N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LCUHUDGTVFKIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N3/c1-8-6-11(13(15,16)17)20-12(19-8)18-7-9-2-4-10(14)5-3-9/h2-6H,7H2,1H3,(H,18,19,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 285.24 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 3242161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).