4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine

C10H14F3N3O2 — CID 112691716

IUPAC4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-7-5-8(17-2)16-9(15-7)14-3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeySOWYTWCBHKOUHD-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.78
Rot. Bonds6

About 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine (PubChem CID 112691716) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
PubChem CID112691716
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O2/c1-7-5-8(17-2)16-9(15-7)14-3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16)
InChIKeySOWYTWCBHKOUHD-UHFFFAOYSA-N
XLogP1.78
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-(2,2-Dimethylpropoxy)-6-methylpyrimidin-2-amine
CID 57063267
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
4-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-heptyloxy)-6-methyl-pyrimidin-2-ylamine
CID 3109471
2-Isopropylamino-4-(2-chloroallyloxy)-6-methyl-pyrimidine
CID 76330728
2,4-Diethoxy-6-methylpyrimidine
CID 260112
2-Pyrimidinamine, 4-methyl-N-(1-methylethyl)-6-(2-methylpropoxy)-
CID 56843735
Ethanamine, 2-((2,6-dimethyl-4-pyrimidinyl)oxy)-N,N-dimethyl-, hydrochloride (1:1)
CID 51293
Ethanamine, N,N-diethyl-2-((2,6-dimethyl-4-pyrimidinyl)oxy)-, monohydrochloride
CID 51295
N,N-diethyl-4-methoxy-6-methylpyrimidin-2-amine
CID 13789821

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine (CID 112691716) is 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine is COc1cc(C)nc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
The InChIKey is SOWYTWCBHKOUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-7-5-8(17-2)16-9(15-7)14-3-4-18-6-10(11,12)13/h5H,3-4,6H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine has a molecular weight of 265.23 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 112691716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).