6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

C13H12F2N4O2 — CID 59003790

IUPAC6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1OCc1c(F)cccc1F
InChIInChI=1S/C13H12F2N4O2/c1-20-19-5-8-12(16)17-7-18-13(8)21-6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3,(H2,16,17,18)/b19-5+
InChIKeyKCKGDXDNELAFNE-PTXOJBNSSA-N
MW294.26 g/mol
LogP1.90
Rot. Bonds5

About 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (PubChem CID 59003790) has the molecular formula C13H12F2N4O2 and a molecular weight of 294.26 g/mol. Its IUPAC name is 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
PubChem CID59003790
Molecular FormulaC13H12F2N4O2
Molecular Weight294.26 g/mol
Exact Mass294.09
IUPAC Name6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1OCc1c(F)cccc1F
InChIInChI=1S/C13H12F2N4O2/c1-20-19-5-8-12(16)17-7-18-13(8)21-6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3,(H2,16,17,18)/b19-5+
InChIKeyKCKGDXDNELAFNE-PTXOJBNSSA-N
XLogP1.90
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
2,4-Bis(benzyloxy)-5-bromopyrimidine
CID 256039
2,6-Diamino-4-(benzyloxy)pyrimidine
CID 10130617
5-Nitroso-6-(4-fluorobenzyloxy)pyrimidine-2,4-diamine
CID 10264728
6-(Benzyloxy)-5-bromopyrimidine-2,4-diamine
CID 14479617
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
4-[2-(4-Fluorophenyl)ethoxy]-6-piperidin-1-ylpyrimidine
CID 164673350
6-[2-(4-fluorophenyl)ethoxy]-N-methyl-N-(oxolan-3-yl)pyrimidin-4-amine
CID 166626361
6-[2-(4-fluorophenyl)ethoxy]-N,N-dimethylpyrimidin-4-amine
CID 166628299
1-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]azepane
CID 166628525
4-[2-(4-Fluorophenyl)ethoxy]-6-pyrrolidin-1-ylpyrimidine
CID 166629336
4-[6-[2-(4-Fluorophenyl)ethoxy]pyrimidin-4-yl]morpholine
CID 166632801

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (CID 59003790) is 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is CO/N=C/c1c(N)ncnc1OCc1c(F)cccc1F.
What is the InChIKey of 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is KCKGDXDNELAFNE-PTXOJBNSSA-N. The full InChI is InChI=1S/C13H12F2N4O2/c1-20-19-5-8-12(16)17-7-18-13(8)21-6-9-10(14)3-2-4-11(9)15/h2-5,7H,6H2,1H3,(H2,16,17,18)/b19-5+.
What are the key properties of 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 294.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 59003790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).