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

C9H5F6N5 — CID 114566082

IUPAC4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1nc(-n2ccc(C(F)(F)F)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H5F6N5/c10-8(11,12)4-1-2-20(19-4)6-3-5(9(13,14)15)17-7(16)18-6/h1-3H,(H2,16,17,18)
InChIKeyMMZGNTIQDWRSAL-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.28
Rot. Bonds1

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

4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 114566082) has the molecular formula C9H5F6N5 and a molecular weight of 297.16 g/mol. Its IUPAC name is 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID114566082
Molecular FormulaC9H5F6N5
Molecular Weight297.16 g/mol
Exact Mass297.04
IUPAC Name4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1nc(-n2ccc(C(F)(F)F)n2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H5F6N5/c10-8(11,12)4-1-2-20(19-4)6-3-5(9(13,14)15)17-7(16)18-6/h1-3H,(H2,16,17,18)
InChIKeyMMZGNTIQDWRSAL-UHFFFAOYSA-N
XLogP2.28
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
2-cyclopropyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80965712
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
[4-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80901191
5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 177229961
4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 80951095
4-chloro-6-(trifluoromethyl)pyrimidin-2-amine
CID 13086907
[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]hydrazine
CID 80900694
5-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxamide
CID 114090520
4-(4-methyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563797
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
1-(3-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66016332

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 114566082) is 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is Nc1nc(-n2ccc(C(F)(F)F)n2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is MMZGNTIQDWRSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6N5/c10-8(11,12)4-1-2-20(19-4)6-3-5(9(13,14)15)17-7(16)18-6/h1-3H,(H2,16,17,18).
What are the key properties of 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 297.16 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 114566082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).