2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C8H11F3N4 — CID 80777184

IUPAC2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4/c1-4-6(12)14-5(2)15-7(4)13-3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14,15)
InChIKeyZLLSKRUYPWEALY-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.65
Rot. Bonds2

About 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80777184) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80777184
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4/c1-4-6(12)14-5(2)15-7(4)13-3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14,15)
InChIKeyZLLSKRUYPWEALY-UHFFFAOYSA-N
XLogP1.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80777184) is 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NCC(F)(F)F)n1.
What is the InChIKey of 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is ZLLSKRUYPWEALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c1-4-6(12)14-5(2)15-7(4)13-3-8(9,10)11/h3H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 220.20 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80777184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).