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

C15H18BrN3O2 — CID 66295791

IUPAC5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc(OC)c2OC)nc(NC)c1Br
InChIInChI=1S/C15H18BrN3O2/c1-5-10-12(16)15(17-2)19-14(18-10)9-7-6-8-11(20-3)13(9)21-4/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyWOVISMMDOXFXQU-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.53
Rot. Bonds5

About 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine

5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 66295791) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID66295791
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(-c2cccc(OC)c2OC)nc(NC)c1Br
InChIInChI=1S/C15H18BrN3O2/c1-5-10-12(16)15(17-2)19-14(18-10)9-7-6-8-11(20-3)13(9)21-4/h6-8H,5H2,1-4H3,(H,17,18,19)
InChIKeyWOVISMMDOXFXQU-UHFFFAOYSA-N
XLogP3.53
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(5-bromo-2-methoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66295402
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-ethyl-N-methylpyrimidin-4-amine
CID 66297909
5-bromo-6-ethyl-2-(2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66301030
5-bromo-2-(2,3-dimethoxyphenyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66295840
6-ethyl-5-iodo-N-methyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 66298495
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
5-bromo-N,6-diethyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66299061
5-bromo-N,6-diethyl-2-(2-ethylphenyl)pyrimidin-4-amine
CID 66297721
6-ethyl-5-iodo-2-[2-(methoxymethyl)phenyl]-N-methylpyrimidin-4-amine
CID 66295420
5-bromo-2-(3-tert-butyl-1-methylpyrazol-4-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 83084574
5-bromo-6-ethyl-2-(4-ethylsulfanylphenyl)-N-methylpyrimidin-4-amine
CID 106849561
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66305550

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine (CID 66295791) is 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(-c2cccc(OC)c2OC)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is WOVISMMDOXFXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-5-10-12(16)15(17-2)19-14(18-10)9-7-6-8-11(20-3)13(9)21-4/h6-8H,5H2,1-4H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 352.23 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dimethoxyphenyl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66295791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).