5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C16H20BrN3O — CID 66300961

IUPAC5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cc(C)cc(C)c2)nc(COC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-10-5-11(2)7-12(6-10)8-14-19-13(9-21-4)15(17)16(18-3)20-14/h5-7H,8-9H2,1-4H3,(H,18,19,20)
InChIKeyDOCQHMATDLYLKQ-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.63
Rot. Bonds5

About 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine

5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 66300961) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID66300961
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(Cc2cc(C)cc(C)c2)nc(COC)c1Br
InChIInChI=1S/C16H20BrN3O/c1-10-5-11(2)7-12(6-10)8-14-19-13(9-21-4)15(17)16(18-3)20-14/h5-7H,8-9H2,1-4H3,(H,18,19,20)
InChIKeyDOCQHMATDLYLKQ-UHFFFAOYSA-N
XLogP3.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)pyrimidine
CID 66294671
5-bromo-6-cyclopropyl-2-[(3,5-dimethylphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66302748
5-bromo-2-[(2,4-dichlorophenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66298412
2-[(3,5-dimethylphenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303635
5-bromo-6-(methoxymethyl)-N-methyl-2-(3-methylbutyl)pyrimidin-4-amine
CID 66298207
5-bromo-2-(methoxymethyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66307745
5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297577
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
5-bromo-2-(4-bromophenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66299387
5-bromo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 66300780
2-[(3,5-dimethylphenyl)methyl]-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63485085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 66300961) is 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1nc(Cc2cc(C)cc(C)c2)nc(COC)c1Br.
What is the InChIKey of 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is DOCQHMATDLYLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-10-5-11(2)7-12(6-10)8-14-19-13(9-21-4)15(17)16(18-3)20-14/h5-7H,8-9H2,1-4H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 350.26 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,5-dimethylphenyl)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66300961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).