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

C10H15F3N4 — CID 80785912

IUPAC6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(F)(F)F)c1CC
InChIInChI=1S/C10H15F3N4/c1-3-7-8(14-4-2)16-6-17-9(7)15-5-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyPYKZAAFWKXHXGI-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.44
Rot. Bonds5

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

6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80785912) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80785912
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(F)(F)F)c1CC
InChIInChI=1S/C10H15F3N4/c1-3-7-8(14-4-2)16-6-17-9(7)15-5-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17)
InChIKeyPYKZAAFWKXHXGI-UHFFFAOYSA-N
XLogP2.44
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80785912) is 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1ncnc(NCC(F)(F)F)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is PYKZAAFWKXHXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-3-7-8(14-4-2)16-6-17-9(7)15-5-10(11,12)13/h6H,3-5H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80785912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).