4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine

C13H14BrFN4O — CID 107604540

IUPAC4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2c(F)cccc2Br)nc(COC)n1
InChIInChI=1S/C13H14BrFN4O/c1-16-10-6-11(18-12(17-10)7-20-2)19-13-8(14)4-3-5-9(13)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyQOARLLMQQZKZPV-UHFFFAOYSA-N
MW341.18 g/mol
LogP3.31
Rot. Bonds5

About 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine

4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 107604540) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID107604540
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCNc1cc(Nc2c(F)cccc2Br)nc(COC)n1
InChIInChI=1S/C13H14BrFN4O/c1-16-10-6-11(18-12(17-10)7-20-2)19-13-8(14)4-3-5-9(13)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyQOARLLMQQZKZPV-UHFFFAOYSA-N
XLogP3.31
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3-bromo-2-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638612
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632
4-N-(2,6-dibromophenyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 107604420
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107602346
N-(4-bromo-3-fluorophenyl)-6-hydrazinyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401888
4-N-(2-bromo-5-chloro-4-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 104725543
2-[(2-chloro-6-fluorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 63022494
6-(5-bromo-2-fluorophenoxy)-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 114677384
4-N-(3-bromo-2-methylphenyl)-2-(ethoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638613
2-(methoxymethyl)-6-N-methyl-4-N-(1-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 113401557
2-bromo-6-fluoro-N-methylaniline
CID 21161540
4-N-(2-chloro-5-methylphenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107638868

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine (CID 107604540) is 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine is CNc1cc(Nc2c(F)cccc2Br)nc(COC)n1.
What is the InChIKey of 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is QOARLLMQQZKZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c1-16-10-6-11(18-12(17-10)7-20-2)19-13-8(14)4-3-5-9(13)15/h3-6H,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine?
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 341.18 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 107604540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).