N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine

C21H16F3N5 — CID 10222301

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nc(-c3ccccc3)cc(-c3ccccc3C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C21H16F3N5/c1-13-11-19(29-28-13)27-20-25-17(14-7-3-2-4-8-14)12-18(26-20)15-9-5-6-10-16(15)21(22,23)24/h2-12H,1H3,(H2,25,26,27,28,29)
InChIKeyFEPBHMRYDSUGDG-UHFFFAOYSA-N
MW395.39 g/mol
LogP5.60
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 10222301) has the molecular formula C21H16F3N5 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID10222301
Molecular FormulaC21H16F3N5
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCc1cc(Nc2nc(-c3ccccc3)cc(-c3ccccc3C(F)(F)F)n2)n[nH]1
InChIInChI=1S/C21H16F3N5/c1-13-11-19(29-28-13)27-20-25-17(14-7-3-2-4-8-14)12-18(26-20)15-9-5-6-10-16(15)21(22,23)24/h2-12H,1H3,(H2,25,26,27,28,29)
InChIKeyFEPBHMRYDSUGDG-UHFFFAOYSA-N
XLogP5.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.39
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 10222301) is N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is Cc1cc(Nc2nc(-c3ccccc3)cc(-c3ccccc3C(F)(F)F)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is FEPBHMRYDSUGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5/c1-13-11-19(29-28-13)27-20-25-17(14-7-3-2-4-8-14)12-18(26-20)15-9-5-6-10-16(15)21(22,23)24/h2-12H,1H3,(H2,25,26,27,28,29).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 395.39 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-6-[2-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 10222301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).