6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine

C14H15F2N3O — CID 80989830

IUPAC6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C14H15F2N3O/c1-4-11-18-13(17-3)8(2)14(19-11)20-10-7-5-6-9(15)12(10)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyZZCVAZFZECWJKP-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.46
Rot. Bonds4

About 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80989830) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80989830
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Oc2cccc(F)c2F)n1
InChIInChI=1S/C14H15F2N3O/c1-4-11-18-13(17-3)8(2)14(19-11)20-10-7-5-6-9(15)12(10)16/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyZZCVAZFZECWJKP-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-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

6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80880527
6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988091
6-(4-chloro-3-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 82718447
6-(2-bromo-4-methylphenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988049
[2-ethyl-5-methyl-6-(2-methylphenoxy)pyrimidin-4-yl]hydrazine
CID 81000967
2-ethyl-N,5-dimethyl-6-propan-2-yloxypyrimidin-4-amine
CID 80988466
6-(2,3-difluorophenoxy)-2,5-dimethylpyrimidin-4-amine
CID 80880333
6-(2-bromo-4-fluorophenoxy)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80988469
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80986630
2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982049
2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
[2-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]oxyphenyl]methanol
CID 80990380

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80989830) is 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(Oc2cccc(F)c2F)n1.
What is the InChIKey of 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is ZZCVAZFZECWJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-4-11-18-13(17-3)8(2)14(19-11)20-10-7-5-6-9(15)12(10)16/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-difluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80989830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).