4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine

C14H16BrN3O — CID 82826004

IUPAC4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-3-16-14-17-10(2)7-13(18-14)19-9-11-5-4-6-12(15)8-11/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyBCTKRJQEQQILKK-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.56
Rot. Bonds5

About 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine

4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine (PubChem CID 82826004) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine
PubChem CID82826004
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine
SMILESCCNc1nc(C)cc(OCc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3O/c1-3-16-14-17-10(2)7-13(18-14)19-9-11-5-4-6-12(15)8-11/h4-8H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyBCTKRJQEQQILKK-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

4-[(3-bromophenyl)methoxy]-N-propylpyrimidin-2-amine
CID 82825921
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916
4-(4-bromo-2-methylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80879089
N-[[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151447
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640
2-[(3-bromophenyl)methoxy]-4-(chloromethyl)-6-methylpyrimidine
CID 114220097
N-ethyl-4-hexoxy-6-methylpyrimidin-2-amine
CID 80861146
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 115974506
[6-[(3-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methanol
CID 82832022
6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine
CID 82831791

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine (CID 82826004) is 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine is CCNc1nc(C)cc(OCc2cccc(Br)c2)n1.
What is the InChIKey of 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine?
The InChIKey is BCTKRJQEQQILKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-16-14-17-10(2)7-13(18-14)19-9-11-5-4-6-12(15)8-11/h4-8H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine?
4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-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 4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 82826004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).