5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine

C16H20FN3O2 — CID 137343705

IUPAC5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCCOc2c(C)cc(C)cc2C)ncc1F
InChIInChI=1S/C16H20FN3O2/c1-10-7-11(2)14(12(3)8-10)22-6-5-18-16-19-9-13(17)15(20-16)21-4/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFDAAZSIOFCCESX-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.04
Rot. Bonds6

About 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine

5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine (PubChem CID 137343705) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine
PubChem CID137343705
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCCOc2c(C)cc(C)cc2C)ncc1F
InChIInChI=1S/C16H20FN3O2/c1-10-7-11(2)14(12(3)8-10)22-6-5-18-16-19-9-13(17)15(20-16)21-4/h7-9H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyFDAAZSIOFCCESX-UHFFFAOYSA-N
XLogP3.04
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)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

5-fluoro-4-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-2-amine
CID 137340626
N-[(4-tert-butylphenyl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 137336755
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 135115910
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
3-fluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]aniline
CID 63515360
N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 141283349
2-[2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 137342477
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-5-fluoro-4-methoxypyrimidin-2-amine
CID 131930604
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916575
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine (CID 137343705) is 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine is COc1nc(NCCOc2c(C)cc(C)cc2C)ncc1F.
What is the InChIKey of 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine?
The InChIKey is FDAAZSIOFCCESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10-7-11(2)14(12(3)8-10)22-6-5-18-16-19-9-13(17)15(20-16)21-4/h7-9H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine?
5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine has a molecular weight of 305.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 137343705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).