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

C12H19F3N4O — CID 80983691

IUPAC2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-4-9-18-10(16-3)8(2)11(19-9)17-5-6-20-7-12(13,14)15/h4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyOSXFHBXWPQZRAD-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.38
Rot. Bonds7

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

2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80983691) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80983691
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCOCC(F)(F)F)n1
InChIInChI=1S/C12H19F3N4O/c1-4-9-18-10(16-3)8(2)11(19-9)17-5-6-20-7-12(13,14)15/h4-7H2,1-3H3,(H2,16,17,18,19)
InChIKeyOSXFHBXWPQZRAD-UHFFFAOYSA-N
XLogP2.38
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.38
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 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (CID 80983691) is 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCCOCC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is OSXFHBXWPQZRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-4-9-18-10(16-3)8(2)11(19-9)17-5-6-20-7-12(13,14)15/h4-7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 292.31 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80983691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).