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

C14H16FN3O — CID 80878010

IUPAC6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cc(C)ccc1F
InChIInChI=1S/C14H16FN3O/c1-3-4-10-13(16)17-8-18-14(10)19-12-7-9(2)5-6-11(12)15/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyLFGCXQYQXXABSG-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.25
Rot. Bonds4

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

6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine (PubChem CID 80878010) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
PubChem CID80878010
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cc(C)ccc1F
InChIInChI=1S/C14H16FN3O/c1-3-4-10-13(16)17-8-18-14(10)19-12-7-9(2)5-6-11(12)15/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyLFGCXQYQXXABSG-UHFFFAOYSA-N
XLogP3.25
TPSA61.03 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80862753
6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705
6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-propylpyrimidin-4-amine
CID 103176311
6-(2-iodophenoxy)-5-propylpyrimidin-4-amine
CID 80875866
3-(2-fluoro-5-methylphenoxy)pyrazin-2-amine
CID 102988278
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
6-(4-chloro-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80874729
6-(2-fluoro-5-methylphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80878423
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434
6-(2-tert-butyl-4-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80867275

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine (CID 80878010) is 6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Oc1cc(C)ccc1F.
What is the InChIKey of 6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine?
The InChIKey is LFGCXQYQXXABSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-3-4-10-13(16)17-8-18-14(10)19-12-7-9(2)5-6-11(12)15/h5-8H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine?
6-(2-fluoro-5-methylphenoxy)-5-propylpyrimidin-4-amine has a molecular weight of 261.30 g/mol, XLogP of 3.25, 4 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-propylpyrimidin-4-amine is sourced from PubChem (CID 80878010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).