N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine

C14H15F2N3O — CID 59160754

IUPACN-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
SMILESCCN(C)c1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C14H15F2N3O/c1-3-19(2)13-12(16)8-17-14(18-13)20-9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3
InChIKeyHQDHDYGMEKBLBE-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.79
Rot. Bonds5

About N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine

N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine (PubChem CID 59160754) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
PubChem CID59160754
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC NameN-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine
SMILESCCN(C)c1nc(OCc2ccc(F)cc2)ncc1F
InChIInChI=1S/C14H15F2N3O/c1-3-19(2)13-12(16)8-17-14(18-13)20-9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3
InChIKeyHQDHDYGMEKBLBE-UHFFFAOYSA-N
XLogP2.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-1-[[2-(iodomethyl)phenyl]methyl]hydrazine
CID 89165338
N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]propane-2-sulfonamide
CID 59160578
5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-amine;5-fluoro-2-[(4-fluorophenyl)methoxy]-N-triethylsilylpyrimidin-4-amine
CID 160828403
5-fluoro-2-[(4-fluorophenyl)methoxy]-N'-hydroxypyrimidine-4-carboximidamide
CID 173099572
N-[[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]amino]formamide;2-methylpropane
CID 143838946
5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 70990513
1-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]-2-(2-fluorophenyl)hydrazine
CID 59160653
[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]oxyphosphonamidic acid
CID 151140451
prop-1-en-2-yl N-[5-fluoro-2-[(4-fluorophenyl)methoxy]pyrimidin-4-yl]carbamate
CID 118311806
N-[5-fluoro-2-[(4-methylphenyl)methoxy]pyrimidin-4-yl]ethanesulfonamide
CID 59160617
2-[(4-fluorophenyl)methoxy]pyrimidine
CID 126953834
5-fluoro-2-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]-N,N-dimethylpyrimidin-4-amine
CID 70990490

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine (CID 59160754) is N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine is CCN(C)c1nc(OCc2ccc(F)cc2)ncc1F.
What is the InChIKey of N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine?
The InChIKey is HQDHDYGMEKBLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-3-19(2)13-12(16)8-17-14(18-13)20-9-10-4-6-11(15)7-5-10/h4-8H,3,9H2,1-2H3.
What are the key properties of N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine?
N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine has a molecular weight of 279.29 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2-[(4-fluorophenyl)methoxy]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 59160754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).