5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine

C11H17F3N4O — CID 80845702

IUPAC5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-3-8-9(15-2)17-7-18-10(8)16-4-5-19-6-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyBXNJBYIVJQKAMO-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.07
Rot. Bonds7

About 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80845702) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80845702
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C11H17F3N4O/c1-3-8-9(15-2)17-7-18-10(8)16-4-5-19-6-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18)
InChIKeyBXNJBYIVJQKAMO-UHFFFAOYSA-N
XLogP2.07
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (CID 80845702) is 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NCCOCC(F)(F)F.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is BXNJBYIVJQKAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-8-9(15-2)17-7-18-10(8)16-4-5-19-6-11(12,13)14/h7H,3-6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 278.28 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80845702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).