4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine

C15H18FN3O — CID 115493705

IUPAC4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCCCc1ccc(Oc2nc(NC)ncc2F)cc1
InChIInChI=1S/C15H18FN3O/c1-3-4-5-11-6-8-12(9-7-11)20-14-13(16)10-18-15(17-2)19-14/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyJVECLOBRUOJBGJ-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.79
Rot. Bonds6

About 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine

4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 115493705) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID115493705
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
SMILESCCCCc1ccc(Oc2nc(NC)ncc2F)cc1
InChIInChI=1S/C15H18FN3O/c1-3-4-5-11-6-8-12(9-7-11)20-14-13(16)10-18-15(17-2)19-14/h6-10H,3-5H2,1-2H3,(H,17,18,19)
InChIKeyJVECLOBRUOJBGJ-UHFFFAOYSA-N
XLogP3.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864152
N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874712
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
4-(3,5-dimethylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80864146
4-(3,5-dichlorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 80874147
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
4-(4-butylphenoxy)-2-chloro-5-methylpyrimidine
CID 115492565
5-bromo-4-(4-butylphenoxy)-2-chloropyrimidine
CID 113322673
[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine
CID 80910662
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074
6-(4-butylphenoxy)-5-methylpyridin-3-amine
CID 115492232

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine (CID 115493705) is 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine is CCCCc1ccc(Oc2nc(NC)ncc2F)cc1.
What is the InChIKey of 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is JVECLOBRUOJBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-3-4-5-11-6-8-12(9-7-11)20-14-13(16)10-18-15(17-2)19-14/h6-10H,3-5H2,1-2H3,(H,17,18,19).
What are the key properties of 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine?
4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 275.33 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 115493705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).