5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine

C18H23F3N4O — CID 58804457

IUPAC5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(OC(F)(F)F)cc2C)nc1N
InChIInChI=1S/C18H23F3N4O/c1-5-12(6-2)24-17-16(22)25-15(11(4)23-17)14-8-7-13(9-10(14)3)26-18(19,20)21/h7-9,12H,5-6H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyWSIAPNIPHIWSED-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.84
Rot. Bonds6

About 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine

5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine (PubChem CID 58804457) has the molecular formula C18H23F3N4O and a molecular weight of 368.40 g/mol. Its IUPAC name is 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine.

Molecular Properties

Compound Name5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
PubChem CID58804457
Molecular FormulaC18H23F3N4O
Molecular Weight368.40 g/mol
Exact Mass368.18
IUPAC Name5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine
SMILESCCC(CC)Nc1nc(C)c(-c2ccc(OC(F)(F)F)cc2C)nc1N
InChIInChI=1S/C18H23F3N4O/c1-5-12(6-2)24-17-16(22)25-15(11(4)23-17)14-8-7-13(9-10(14)3)26-18(19,20)21/h7-9,12H,5-6H2,1-4H3,(H2,22,25)(H,23,24)
InChIKeyWSIAPNIPHIWSED-UHFFFAOYSA-N
XLogP4.84
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-6-methylsulfanyl-5-[2-methyl-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 58804486
3-ethoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804534
5-(2-methoxy-4-propan-2-ylphenyl)-6-methyl-2-N-pentan-3-ylpyrazine-2,3-diamine
CID 10020281
2-ethyl-5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 142189252
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 58804425
5-ethyl-6-[2-methoxy-4-(trifluoromethoxy)phenyl]-2-N-methyl-3-N-pentan-3-ylpyrazine-2,3-diamine
CID 10386972
3-methoxy-5-[2-methoxy-4-(trifluoromethyl)phenyl]-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595046
5-[2-(difluoromethyl)-4-(trifluoromethyl)phenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 71168153
3,6-diethyl-N-(1-methoxybutan-2-yl)-5-(4-methoxy-2-methylphenyl)pyrazin-2-amine
CID 159209645
[6-[2-hydroxy-4-(trifluoromethoxy)phenyl]-5-(3-methoxypropyl)-3-(octan-3-ylamino)pyridazin-4-yl]methyl carbamate
CID 177046281
5-[2-methoxy-4-(trifluoromethoxy)phenyl]-6-methyl-1-pentan-3-yl-2H-pyrazolo[3,4-b]pyrazin-3-one
CID 59995647
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine?
The IUPAC name of 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine (CID 58804457) is 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine.
What is the SMILES notation for 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine?
The canonical SMILES for 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine is CCC(CC)Nc1nc(C)c(-c2ccc(OC(F)(F)F)cc2C)nc1N.
What is the InChIKey of 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine?
The InChIKey is WSIAPNIPHIWSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O/c1-5-12(6-2)24-17-16(22)25-15(11(4)23-17)14-8-7-13(9-10(14)3)26-18(19,20)21/h7-9,12H,5-6H2,1-4H3,(H2,22,25)(H,23,24).
What are the key properties of 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine?
5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine has a molecular weight of 368.40 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-N-pentan-3-ylpyrazine-2,3-diamine is sourced from PubChem (CID 58804457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).