(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine

C14H16BrN3O3 — CID 103523603

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
SMILESCOc1cc(C(N)c2ccc(OC)c(Br)c2OC)ncn1
InChIInChI=1S/C14H16BrN3O3/c1-19-10-5-4-8(14(21-3)12(10)15)13(16)9-6-11(20-2)18-7-17-9/h4-7,13H,16H2,1-3H3
InChIKeyRCBAHSOQAUSKRK-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.31
Rot. Bonds5

About (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine

(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine (PubChem CID 103523603) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
PubChem CID103523603
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
SMILESCOc1cc(C(N)c2ccc(OC)c(Br)c2OC)ncn1
InChIInChI=1S/C14H16BrN3O3/c1-19-10-5-4-8(14(21-3)12(10)15)13(16)9-6-11(20-2)18-7-17-9/h4-7,13H,16H2,1-3H3
InChIKeyRCBAHSOQAUSKRK-UHFFFAOYSA-N
XLogP2.31
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-bromothiophen-3-yl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950730
(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine
CID 103523606
(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 103523504
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
CID 106851976
2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950747
(6-methoxypyrimidin-4-yl)-(2-propoxyphenyl)methanamine
CID 102950546
(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 107950938
(2-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanol
CID 102950226
[2-(5-bromo-2-methoxyphenyl)-1-(6-methoxypyrimidin-4-yl)ethyl]hydrazine
CID 102953300
(3-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950866

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine (CID 103523603) is (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine is COc1cc(C(N)c2ccc(OC)c(Br)c2OC)ncn1.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine?
The InChIKey is RCBAHSOQAUSKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-19-10-5-4-8(14(21-3)12(10)15)13(16)9-6-11(20-2)18-7-17-9/h4-7,13H,16H2,1-3H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine?
(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine has a molecular weight of 354.20 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine is sourced from PubChem (CID 103523603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).