6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine

C14H16FN3O — CID 80876952

IUPAC6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(OCc2ccccc2F)c1C
InChIInChI=1S/C14H16FN3O/c1-9-13(16-3)17-10(2)18-14(9)19-8-11-6-4-5-7-12(11)15/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyNLPFKHYJTKIWEE-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.85
Rot. Bonds4

About 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine

6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80876952) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80876952
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(OCc2ccccc2F)c1C
InChIInChI=1S/C14H16FN3O/c1-9-13(16-3)17-10(2)18-14(9)19-8-11-6-4-5-7-12(11)15/h4-7H,8H2,1-3H3,(H,16,17,18)
InChIKeyNLPFKHYJTKIWEE-UHFFFAOYSA-N
XLogP2.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2-fluorophenyl)ethyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80786040
6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80880527
4-N-[(2-fluorophenyl)methyl]-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80794454
2-tert-butyl-6-[(2-fluorophenyl)methoxy]-5-methylpyrimidin-4-amine
CID 80989840
6-[(2-fluorophenyl)methoxy]-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989838
6-(2-methoxyethoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80859844
6-[(2-chlorophenyl)methoxy]-2-cyclopropyl-N,5-dimethylpyrimidin-4-amine
CID 80989714
4-N-[(2-fluorophenyl)methyl]-6-(2-methoxyethoxy)-2-methylpyrimidine-4,5-diamine
CID 82455571
(2,5-dimethyl-6-phenylmethoxypyrimidin-4-yl)hydrazine
CID 80910056
4-[(2-fluorophenyl)methoxy]-N-methylpyrimidin-2-amine
CID 80876879
2-ethyl-4-N-[2-(2-fluorophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80982049
2-[(2-fluorophenyl)methoxy]-6-methylpyridine-3-carbonitrile
CID 63937147

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine (CID 80876952) is 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(OCc2ccccc2F)c1C.
What is the InChIKey of 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is NLPFKHYJTKIWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-9-13(16-3)17-10(2)18-14(9)19-8-11-6-4-5-7-12(11)15/h4-7H,8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine?
6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methoxy]-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80876952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).