6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine

C15H18FN3O — CID 80878423

IUPAC6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2cc(C)ccc2F)c1C
InChIInChI=1S/C15H18FN3O/c1-4-7-17-14-11(3)15(19-9-18-14)20-13-8-10(2)5-6-12(13)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyBJDKWRFKUZSXAA-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.85
Rot. Bonds5

About 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine

6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80878423) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80878423
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Oc2cc(C)ccc2F)c1C
InChIInChI=1S/C15H18FN3O/c1-4-7-17-14-11(3)15(19-9-18-14)20-13-8-10(2)5-6-12(13)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyBJDKWRFKUZSXAA-UHFFFAOYSA-N
XLogP3.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80924404
4-N-(2-methoxy-5-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80736748
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
CID 80878010
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
6-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80874885
5-methyl-6-pentoxy-N-propylpyrimidin-4-amine
CID 80866591
4-N-(2,6-difluoro-3-methylphenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 82802010
[6-(2-fluoro-5-methylphenoxy)-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81000747

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine (CID 80878423) is 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(Oc2cc(C)ccc2F)c1C.
What is the InChIKey of 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is BJDKWRFKUZSXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-7-17-14-11(3)15(19-9-18-14)20-13-8-10(2)5-6-12(13)16/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine?
6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80878423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).