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

C15H12F3N5 — CID 1492140

IUPAC4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCc1cc(-n2nc(-c3ccccc3)cc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C15H12F3N5/c1-9-7-13(21-14(19)20-9)23-12(15(16,17)18)8-11(22-23)10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,20,21)
InChIKeyRYPBEMLESUKFNU-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.24
Rot. Bonds2

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

4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 1492140) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID1492140
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCc1cc(-n2nc(-c3ccccc3)cc2C(F)(F)F)nc(N)n1
InChIInChI=1S/C15H12F3N5/c1-9-7-13(21-14(19)20-9)23-12(15(16,17)18)8-11(22-23)10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,20,21)
InChIKeyRYPBEMLESUKFNU-UHFFFAOYSA-N
XLogP3.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 1492140) is 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is Cc1cc(-n2nc(-c3ccccc3)cc2C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is RYPBEMLESUKFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c1-9-7-13(21-14(19)20-9)23-12(15(16,17)18)8-11(22-23)10-5-3-2-4-6-10/h2-8H,1H3,(H2,19,20,21).
What are the key properties of 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 319.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 1492140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).