6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine

C12H12F2N4O — CID 80874134

IUPAC6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(Oc2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C12H12F2N4O/c1-2-16-10-6-11(18-12(15)17-10)19-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyBDRFXYDTKLBWJD-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.56
Rot. Bonds4

About 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine

6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 80874134) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
PubChem CID80874134
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(Oc2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C12H12F2N4O/c1-2-16-10-6-11(18-12(15)17-10)19-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H3,15,16,17,18)
InChIKeyBDRFXYDTKLBWJD-UHFFFAOYSA-N
XLogP2.56
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
6-(4-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 115493746
4-N-ethyl-6-(4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80870871
4-(3,4-difluorophenoxy)-6-methylpyrimidin-2-amine
CID 112724370
6-(4-chloro-3-fluorophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 82718288
6-(4-chloro-3-fluorophenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 82717617
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
4-N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176372
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine (CID 80874134) is 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(Oc2ccc(F)c(F)c2)nc(N)n1.
What is the InChIKey of 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is BDRFXYDTKLBWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-2-16-10-6-11(18-12(15)17-10)19-7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine?
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 266.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80874134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).