6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine

C10H8F2N4O — CID 80880795

IUPAC6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2cc(F)cc(F)c2)nc(N)n1
InChIInChI=1S/C10H8F2N4O/c11-5-1-6(12)3-7(2-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16)
InChIKeyPUQZWBVXBWMUME-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.71
Rot. Bonds2

About 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine

6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine (PubChem CID 80880795) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine
PubChem CID80880795
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine
SMILESNc1cc(Oc2cc(F)cc(F)c2)nc(N)n1
InChIInChI=1S/C10H8F2N4O/c11-5-1-6(12)3-7(2-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16)
InChIKeyPUQZWBVXBWMUME-UHFFFAOYSA-N
XLogP1.71
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine (CID 80880795) is 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine is Nc1cc(Oc2cc(F)cc(F)c2)nc(N)n1.
What is the InChIKey of 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine?
The InChIKey is PUQZWBVXBWMUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c11-5-1-6(12)3-7(2-5)17-9-4-8(13)15-10(14)16-9/h1-4H,(H4,13,14,15,16).
What are the key properties of 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine?
6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine has a molecular weight of 238.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 80880795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).