2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine

C14H16BrN3O — CID 55045736

IUPAC2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)c(Br)c2)nc(C)c1C
InChIInChI=1S/C14H16BrN3O/c1-8-9(2)17-14(18-13(8)16-3)10-5-6-12(19-4)11(15)7-10/h5-7H,1-4H3,(H,16,17,18)
InChIKeyIOFSZVXHUCBKAZ-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.57
Rot. Bonds3

About 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine

2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 55045736) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID55045736
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(OC)c(Br)c2)nc(C)c1C
InChIInChI=1S/C14H16BrN3O/c1-8-9(2)17-14(18-13(8)16-3)10-5-6-12(19-4)11(15)7-10/h5-7H,1-4H3,(H,16,17,18)
InChIKeyIOFSZVXHUCBKAZ-UHFFFAOYSA-N
XLogP3.57
TPSA47.04 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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4,5-dimethyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 135962121
2-(3-bromo-4-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 113337298
2-(3-bromo-4-methoxyphenyl)-5-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dimethylpyrimidine
CID 21232276
2-(3-bromo-4-methoxyphenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66297498
2-(2,5-dimethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62201725
[2-(3-bromo-4-methoxyphenyl)-6-ethyl-5-methylpyrimidin-4-yl]hydrazine
CID 63561231
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
5-bromo-2-(3-bromo-4-methylphenyl)-N,6-dimethylpyrimidin-4-amine
CID 105410427
N,5,6-trimethyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823338
2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 62201562
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826928
4-amino-2-(3-bromo-4-methoxyphenyl)-6-methylpyrimidine-5-carbonitrile
CID 106951390

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine (CID 55045736) is 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(-c2ccc(OC)c(Br)c2)nc(C)c1C.
What is the InChIKey of 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is IOFSZVXHUCBKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-8-9(2)17-14(18-13(8)16-3)10-5-6-12(19-4)11(15)7-10/h5-7H,1-4H3,(H,16,17,18).
What are the key properties of 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine?
2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 55045736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).