4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine

C13H14BrN3O2 — CID 103524072

IUPAC4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C)nc(N)n2)c(OC)c1Br
InChIInChI=1S/C13H14BrN3O2/c1-7-6-9(17-13(15)16-7)8-4-5-10(18-2)11(14)12(8)19-3/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyNGXAGXKETQQITQ-UHFFFAOYSA-N
MW324.18 g/mol
LogP2.81
Rot. Bonds3

About 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine

4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 103524072) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
PubChem CID103524072
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C)nc(N)n2)c(OC)c1Br
InChIInChI=1S/C13H14BrN3O2/c1-7-6-9(17-13(15)16-7)8-4-5-10(18-2)11(14)12(8)19-3/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyNGXAGXKETQQITQ-UHFFFAOYSA-N
XLogP2.81
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-bromo-2,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
CID 103524051
4-(2-methoxy-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 62482749
5-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyridin-2-amine
CID 103523655
4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 103524033
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300071
2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine
CID 103523993
2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine
CID 103523994
2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline
CID 107626993
4-(4-methoxy-2,3-dimethylphenyl)-6-propan-2-ylpyrimidin-2-amine
CID 95474541
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine (CID 103524072) is 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine is COc1ccc(-c2cc(C)nc(N)n2)c(OC)c1Br.
What is the InChIKey of 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is NGXAGXKETQQITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-7-6-9(17-13(15)16-7)8-4-5-10(18-2)11(14)12(8)19-3/h4-6H,1-3H3,(H2,15,16,17).
What are the key properties of 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine?
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 324.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 103524072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).