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

C10H15F3N4O — CID 80846404

IUPAC6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCOCC(F)(F)F)nc(C)n1
InChIInChI=1S/C10H15F3N4O/c1-7-16-8(14-2)5-9(17-7)15-3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyIGTDXDIPWDGCNL-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.82
Rot. Bonds6

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

6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (PubChem CID 80846404) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
PubChem CID80846404
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
SMILESCNc1cc(NCCOCC(F)(F)F)nc(C)n1
InChIInChI=1S/C10H15F3N4O/c1-7-16-8(14-2)5-9(17-7)15-3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H2,14,15,16,17)
InChIKeyIGTDXDIPWDGCNL-UHFFFAOYSA-N
XLogP1.82
TPSA59.07 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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-N,2-dimethyl-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 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine (CID 80846404) is 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is CNc1cc(NCCOCC(F)(F)F)nc(C)n1.
What is the InChIKey of 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
The InChIKey is IGTDXDIPWDGCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-7-16-8(14-2)5-9(17-7)15-3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine?
6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine has a molecular weight of 264.25 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80846404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).