5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C18H15F3N4 — CID 10125952

IUPAC5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4/c19-18(20,21)13-8-6-11(7-9-13)15-14(10-22)16(23)25-17(24-15)12-4-2-1-3-5-12/h1-9H,10,22H2,(H2,23,24,25)
InChIKeyIYYOOHZJFUHCFY-UHFFFAOYSA-N
MW344.34 g/mol
LogP3.87
Rot. Bonds3

About 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 10125952) has the molecular formula C18H15F3N4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID10125952
Molecular FormulaC18H15F3N4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESNCc1c(N)nc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4/c19-18(20,21)13-8-6-11(7-9-13)15-14(10-22)16(23)25-17(24-15)12-4-2-1-3-5-12/h1-9H,10,22H2,(H2,23,24,25)
InChIKeyIYYOOHZJFUHCFY-UHFFFAOYSA-N
XLogP3.87
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 10125952) is 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is NCc1c(N)nc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is IYYOOHZJFUHCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4/c19-18(20,21)13-8-6-11(7-9-13)15-14(10-22)16(23)25-17(24-15)12-4-2-1-3-5-12/h1-9H,10,22H2,(H2,23,24,25).
What are the key properties of 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 344.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-phenyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 10125952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).