2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine

C14H16BrN3O — CID 80654684

IUPAC2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(COc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-3-16-13-7-10(2)17-14(18-13)9-19-12-6-4-5-11(15)8-12/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyGFMQSUJPAWNORS-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.56
Rot. Bonds5

About 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine

2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 80654684) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID80654684
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(COc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-3-16-13-7-10(2)17-14(18-13)9-19-12-6-4-5-11(15)8-12/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyGFMQSUJPAWNORS-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80663360
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
2-[(5-bromo-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 107285486
6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
CID 62886325
6-[(3-bromophenoxy)methyl]-N-methylpyridin-2-amine
CID 79239184
6-(3-bromophenoxy)-N-ethylpyridin-2-amine
CID 80869088
[2-[[3-(methoxymethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656236
2-[(5-bromo-2-chlorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80663368
2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651
[2-[(4-bromo-3-methylphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83141076
6-(3-bromophenoxy)-2-tert-butyl-N-ethylpyrimidin-4-amine
CID 80966382
[2-[(3-bromo-4-fluorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 83234575

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine (CID 80654684) is 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(COc2cccc(Br)c2)n1.
What is the InChIKey of 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is GFMQSUJPAWNORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-16-13-7-10(2)17-14(18-13)9-19-12-6-4-5-11(15)8-12/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine?
2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).