4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine

C12H12F2N4O — CID 19152457

IUPAC4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2cc(F)ccc2F)c1N
InChIInChI=1S/C12H12F2N4O/c1-2-19-12-10(15)11(16-6-17-12)18-9-5-7(13)3-4-8(9)14/h3-6H,2,15H2,1H3,(H,16,17,18)
InChIKeyDKXVNBNRGKZKED-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.48
Rot. Bonds4

About 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine

4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine (PubChem CID 19152457) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
PubChem CID19152457
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(Nc2cc(F)ccc2F)c1N
InChIInChI=1S/C12H12F2N4O/c1-2-19-12-10(15)11(16-6-17-12)18-9-5-7(13)3-4-8(9)14/h3-6H,2,15H2,1H3,(H,16,17,18)
InChIKeyDKXVNBNRGKZKED-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-difluorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149262
4-N-(2,5-difluorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19149058
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2,5-difluorophenyl)pyrimidine-4,5-diamine
CID 19153183
4-N-(3-chloro-5-fluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 107363613
4-N-(2,5-difluorophenyl)-6-N-(2,5-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142786
4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19153133
4-N-(2,5-difluorophenyl)-6-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543980
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
4-N-(4-bromo-2-ethylphenyl)-6-ethoxypyrimidine-4,5-diamine
CID 81292242
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
6-N-(2,5-difluorophenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145768

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine (CID 19152457) is 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine is CCOc1ncnc(Nc2cc(F)ccc2F)c1N.
What is the InChIKey of 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is DKXVNBNRGKZKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-2-19-12-10(15)11(16-6-17-12)18-9-5-7(13)3-4-8(9)14/h3-6H,2,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine?
4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 266.25 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-difluorophenyl)-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 19152457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).