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

C19H15F4N3 — CID 15987869

IUPACN-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H15F4N3/c1-26(12-13-5-3-2-4-6-13)18-24-16(11-17(25-18)19(21,22)23)14-7-9-15(20)10-8-14/h2-11H,12H2,1H3
InChIKeyAXKGKRKYJLUJOD-UHFFFAOYSA-N
MW361.34 g/mol
LogP4.94
Rot. Bonds4

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

N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 15987869) has the molecular formula C19H15F4N3 and a molecular weight of 361.34 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID15987869
Molecular FormulaC19H15F4N3
Molecular Weight361.34 g/mol
Exact Mass361.12
IUPAC NameN-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1
InChIInChI=1S/C19H15F4N3/c1-26(12-13-5-3-2-4-6-13)18-24-16(11-17(25-18)19(21,22)23)14-7-9-15(20)10-8-14/h2-11H,12H2,1H3
InChIKeyAXKGKRKYJLUJOD-UHFFFAOYSA-N
XLogP4.94
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 15987869) is N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is CN(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is AXKGKRKYJLUJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3/c1-26(12-13-5-3-2-4-6-13)18-24-16(11-17(25-18)19(21,22)23)14-7-9-15(20)10-8-14/h2-11H,12H2,1H3.
What are the key properties of N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine?
N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 361.34 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 15987869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).