5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

C14H16BrN3O3 — CID 66303625

IUPAC5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(-c2nc(C)c(Br)c(N)n2)cc(OC)c1OC
InChIInChI=1S/C14H16BrN3O3/c1-7-11(15)13(16)18-14(17-7)8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3,(H2,16,17,18)
InChIKeyOYYFRTKEACOCSO-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.82
Rot. Bonds4

About 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine

5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine (PubChem CID 66303625) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
PubChem CID66303625
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
SMILESCOc1cc(-c2nc(C)c(Br)c(N)n2)cc(OC)c1OC
InChIInChI=1S/C14H16BrN3O3/c1-7-11(15)13(16)18-14(17-7)8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3,(H2,16,17,18)
InChIKeyOYYFRTKEACOCSO-UHFFFAOYSA-N
XLogP2.82
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-4-chloro-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidine
CID 66312425
5-bromo-2-(3-fluoro-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 66303209
2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 67327308
5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
CID 53381610
5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
CID 66304664
2-(3,4-dimethoxyphenyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62191896
[2-(3-chloro-4,5-dimethoxyphenyl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 62252025
4-amino-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 116646948
2-(4-bromo-3,5-dimethylphenyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 114330977
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390
3-bromo-5-methoxy-6-methylpyridin-2-amine
CID 130133402

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine (CID 66303625) is 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine is COc1cc(-c2nc(C)c(Br)c(N)n2)cc(OC)c1OC.
What is the InChIKey of 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
The InChIKey is OYYFRTKEACOCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-7-11(15)13(16)18-14(17-7)8-5-9(19-2)12(21-4)10(6-8)20-3/h5-6H,1-4H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine?
5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine has a molecular weight of 354.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66303625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).