4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine

C11H9F2N3O2 — CID 114053294

IUPAC4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(Oc2cc(F)cc(F)c2)nc(N)n1
InChIInChI=1S/C11H9F2N3O2/c1-17-9-5-10(16-11(14)15-9)18-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H2,14,15,16)
InChIKeyMIFVNKRXOBQCHO-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.14
Rot. Bonds3

About 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine

4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine (PubChem CID 114053294) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine
PubChem CID114053294
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine
SMILESCOc1cc(Oc2cc(F)cc(F)c2)nc(N)n1
InChIInChI=1S/C11H9F2N3O2/c1-17-9-5-10(16-11(14)15-9)18-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H2,14,15,16)
InChIKeyMIFVNKRXOBQCHO-UHFFFAOYSA-N
XLogP2.14
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine
CID 80880795
4-fluoro-6-methoxypyrimidin-2-amine
CID 759140
4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 81326185
4-(1-ethylpyrazol-4-yl)oxy-6-methoxypyrimidin-2-amine
CID 114053313
4-(4-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724301
4-(2-chlorophenoxy)-6-methoxypyrimidin-2-amine
CID 14724259
4,6-bis(trideuteriomethoxy)pyrimidin-2-amine
CID 71313201
2-(3-bromo-5-fluorophenoxy)-6-methoxypyridine
CID 81331550
4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724370
4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80879463
sodium;4-chloro-6-methoxypyrimidin-2-amine;hydride
CID 175737665
6-(3,5-difluorophenoxy)-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 62784274

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine (CID 114053294) is 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine is COc1cc(Oc2cc(F)cc(F)c2)nc(N)n1.
What is the InChIKey of 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine?
The InChIKey is MIFVNKRXOBQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c1-17-9-5-10(16-11(14)15-9)18-8-3-6(12)2-7(13)4-8/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine?
4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine has a molecular weight of 253.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 114053294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).