5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine

C14H15BrClN3O — CID 106192856

IUPAC5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCOCc1ccccc1CNc1ncnc(Cl)c1Br
InChIInChI=1S/C14H15BrClN3O/c1-2-20-8-11-6-4-3-5-10(11)7-17-14-12(15)13(16)18-9-19-14/h3-6,9H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyDSUMXLGLLWZARX-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.04
Rot. Bonds6

About 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine

5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 106192856) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine
PubChem CID106192856
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine
SMILESCCOCc1ccccc1CNc1ncnc(Cl)c1Br
InChIInChI=1S/C14H15BrClN3O/c1-2-20-8-11-6-4-3-5-10(11)7-17-14-12(15)13(16)18-9-19-14/h3-6,9H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyDSUMXLGLLWZARX-UHFFFAOYSA-N
XLogP4.04
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-[[2-(ethoxymethyl)phenyl]methylamino]pyrimidine-5-carbaldehyde
CID 106192866
3-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 105366749
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133396106
5-bromo-6-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 106193488
[4-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197024
N-[(2-bromo-5-chlorophenyl)methyl]-1-[2-(ethoxymethyl)phenyl]methanamine
CID 66158776
3-[[2-(ethoxymethyl)phenyl]methylamino]-1-ethylpyrazin-2-one
CID 62938649
4-bromo-5-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylpyridazin-3-one
CID 115624032
5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 114072011
N-[[2-(ethoxymethyl)phenyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64915379
5,6-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 52679182

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine (CID 106192856) is 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine is CCOCc1ccccc1CNc1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is DSUMXLGLLWZARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-2-20-8-11-6-4-3-5-10(11)7-17-14-12(15)13(16)18-9-19-14/h3-6,9H,2,7-8H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine?
5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 356.65 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[[2-(ethoxymethyl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 106192856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).