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

C10H15F3N4O — CID 80846200

IUPAC5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-2-7-8(14)16-6-17-9(7)15-3-4-18-5-10(11,12)13/h6H,2-5H2,1H3,(H3,14,15,16,17)
InChIKeyXJFDESCTYCVIKV-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.61
Rot. Bonds6

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

5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80846200) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80846200
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NCCOCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-2-7-8(14)16-6-17-9(7)15-3-4-18-5-10(11,12)13/h6H,2-5H2,1H3,(H3,14,15,16,17)
InChIKeyXJFDESCTYCVIKV-UHFFFAOYSA-N
XLogP1.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (CID 80846200) is 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is CCc1c(N)ncnc1NCCOCC(F)(F)F.
What is the InChIKey of 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is XJFDESCTYCVIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-2-7-8(14)16-6-17-9(7)15-3-4-18-5-10(11,12)13/h6H,2-5H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 264.25 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80846200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).