6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

C17H15F3N6 — CID 117090719

IUPAC6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)nc(Nc2cnccn2)n1
InChIInChI=1S/C17H15F3N6/c1-11-7-14(25-16(24-11)26-15-10-21-5-6-22-15)23-9-12-3-2-4-13(8-12)17(18,19)20/h2-8,10H,9H2,1H3,(H2,22,23,24,25,26)
InChIKeyXXLWKTGGJMNKOB-UHFFFAOYSA-N
MW360.34 g/mol
LogP3.95
Rot. Bonds5

About 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 117090719) has the molecular formula C17H15F3N6 and a molecular weight of 360.34 g/mol. Its IUPAC name is 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID117090719
Molecular FormulaC17H15F3N6
Molecular Weight360.34 g/mol
Exact Mass360.13
IUPAC Name6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)nc(Nc2cnccn2)n1
InChIInChI=1S/C17H15F3N6/c1-11-7-14(25-16(24-11)26-15-10-21-5-6-22-15)23-9-12-3-2-4-13(8-12)17(18,19)20/h2-8,10H,9H2,1H3,(H2,22,23,24,25,26)
InChIKeyXXLWKTGGJMNKOB-UHFFFAOYSA-N
XLogP3.95
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 117090719) is 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is Cc1cc(NCc2cccc(C(F)(F)F)c2)nc(Nc2cnccn2)n1.
What is the InChIKey of 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XXLWKTGGJMNKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6/c1-11-7-14(25-16(24-11)26-15-10-21-5-6-22-15)23-9-12-3-2-4-13(8-12)17(18,19)20/h2-8,10H,9H2,1H3,(H2,22,23,24,25,26).
What are the key properties of 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 360.34 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-pyrazin-2-yl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 117090719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).