N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

C12H10F3N3 — CID 3232959

IUPACN-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1ncncc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H10F3N3/c1-16-11-9(6-17-7-18-11)8-4-2-3-5-10(8)12(13,14)15/h2-7H,1H3,(H,16,17,18)
InChIKeyASSPHASQECFTKF-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.20
Rot. Bonds2

About N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine

N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 3232959) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID3232959
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC NameN-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCNc1ncncc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C12H10F3N3/c1-16-11-9(6-17-7-18-11)8-4-2-3-5-10(8)12(13,14)15/h2-7H,1H3,(H,16,17,18)
InChIKeyASSPHASQECFTKF-UHFFFAOYSA-N
XLogP3.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 3232959) is N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is CNc1ncncc1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ASSPHASQECFTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-16-11-9(6-17-7-18-11)8-4-2-3-5-10(8)12(13,14)15/h2-7H,1H3,(H,16,17,18).
What are the key properties of N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine?
N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 253.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 3232959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).