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

C10H7F6N5 — CID 114566111

IUPACN-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCNc1nc(-n2cc(C(F)(F)F)cn2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H7F6N5/c1-17-8-19-6(10(14,15)16)2-7(20-8)21-4-5(3-18-21)9(11,12)13/h2-4H,1H3,(H,17,19,20)
InChIKeyOKTLZZARPJDBBE-UHFFFAOYSA-N
MW311.19 g/mol
LogP2.74
Rot. Bonds2

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

N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 114566111) has the molecular formula C10H7F6N5 and a molecular weight of 311.19 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID114566111
Molecular FormulaC10H7F6N5
Molecular Weight311.19 g/mol
Exact Mass311.06
IUPAC NameN-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESCNc1nc(-n2cc(C(F)(F)F)cn2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H7F6N5/c1-17-8-19-6(10(14,15)16)2-7(20-8)21-4-5(3-18-21)9(11,12)13/h2-4H,1H3,(H,17,19,20)
InChIKeyOKTLZZARPJDBBE-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567659
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
4-(4-chloropyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566071
4-(4-iodopyrazol-1-yl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566114
N-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868893
1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 114567674
N-ethyl-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80868236
N-ethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868324
[4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]hydrazine
CID 80902981
4-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-2,6-dione
CID 114565375
4-(chloromethyl)-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 113378886
4-(4-cyclopropylpiperazin-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564374

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 114566111) is N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is CNc1nc(-n2cc(C(F)(F)F)cn2)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is OKTLZZARPJDBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6N5/c1-17-8-19-6(10(14,15)16)2-7(20-8)21-4-5(3-18-21)9(11,12)13/h2-4H,1H3,(H,17,19,20).
What are the key properties of N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 311.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 114566111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).