3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine

C14H14F3N3 — CID 60699153

IUPAC3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3N3/c1-9-7-18-10(2)13(20-9)19-8-11-3-5-12(6-4-11)14(15,16)17/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyZEFYKBPGRNRCCB-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.72
Rot. Bonds3

About 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine

3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine (PubChem CID 60699153) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
PubChem CID60699153
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H14F3N3/c1-9-7-18-10(2)13(20-9)19-8-11-3-5-12(6-4-11)14(15,16)17/h3-7H,8H2,1-2H3,(H,19,20)
InChIKeyZEFYKBPGRNRCCB-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol
CID 113442355
5-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3-diamine
CID 66281298
N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 65028743
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
5-bromo-2-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80806527
3-bromo-4-methyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,5-diamine
CID 104506785
5-bromo-2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 79072897
3-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 62881850
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 133471195
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577
N-[(2,5-difluorophenyl)methyl]-3,6-dimethylpyrazin-2-amine
CID 65417983

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine (CID 60699153) is 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine is Cc1cnc(C)c(NCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
The InChIKey is ZEFYKBPGRNRCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-7-18-10(2)13(20-9)19-8-11-3-5-12(6-4-11)14(15,16)17/h3-7H,8H2,1-2H3,(H,19,20).
What are the key properties of 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine?
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine is sourced from PubChem (CID 60699153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).