1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine

C14H16BrN3O — CID 116892490

IUPAC1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCOc1ccc(-c2cc(C)nc(C(C)N)n2)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-8-6-12(18-14(17-8)9(2)16)10-4-5-13(19-3)11(15)7-10/h4-7,9H,16H2,1-3H3
InChIKeyUUBLVDHTKVRVLE-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.24
Rot. Bonds3

About 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine

1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine (PubChem CID 116892490) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
PubChem CID116892490
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCOc1ccc(-c2cc(C)nc(C(C)N)n2)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-8-6-12(18-14(17-8)9(2)16)10-4-5-13(19-3)11(15)7-10/h4-7,9H,16H2,1-3H3
InChIKeyUUBLVDHTKVRVLE-UHFFFAOYSA-N
XLogP3.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892561
1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892474
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]propan-1-amine
CID 116897844
1-[2-(3-bromo-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61280524
1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 116892485
4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 746809
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
(1R)-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 7047696
1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 116892504
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
2-[4-(5-bromo-2-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892702

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine (CID 116892490) is 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine is COc1ccc(-c2cc(C)nc(C(C)N)n2)cc1Br.
What is the InChIKey of 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The InChIKey is UUBLVDHTKVRVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-8-6-12(18-14(17-8)9(2)16)10-4-5-13(19-3)11(15)7-10/h4-7,9H,16H2,1-3H3.
What are the key properties of 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine?
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine has a molecular weight of 322.21 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116892490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).