4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C12H13BrN4O — CID 80804517

IUPAC4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Br)cc1Nc1cc(C)nc(N)n1
InChIInChI=1S/C12H13BrN4O/c1-7-5-11(17-12(14)15-7)16-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyQTVVFIRKTXIOFI-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.88
Rot. Bonds3

About 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 80804517) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID80804517
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(Br)cc1Nc1cc(C)nc(N)n1
InChIInChI=1S/C12H13BrN4O/c1-7-5-11(17-12(14)15-7)16-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H3,14,15,16,17)
InChIKeyQTVVFIRKTXIOFI-UHFFFAOYSA-N
XLogP2.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 56921023
4-N-(5-bromo-2-methoxyphenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785157
2-[(2-amino-6-methylpyrimidin-4-yl)amino]-4-bromobenzonitrile
CID 107801787
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-6-methylpyrimidine-2,4-diamine
CID 103193728
6-N-(5-bromo-2-methoxyphenyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717970
2-N-(4-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930399
6-N-(5-bromo-2-methoxyphenyl)-2-N-methylpyridine-2,6-diamine
CID 80804696
2-N-(5-bromo-2-methoxyphenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 63403025
6-N-ethyl-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4,6-triamine
CID 80763447
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
2-(5-bromo-2-methoxyanilino)-4,6-dimethylpyridine-3-carbothioamide
CID 63518731
4-N-(5-bromo-2-methoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80940149

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 80804517) is 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1ccc(Br)cc1Nc1cc(C)nc(N)n1.
What is the InChIKey of 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is QTVVFIRKTXIOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-7-5-11(17-12(14)15-7)16-9-6-8(13)3-4-10(9)18-2/h3-6H,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 309.17 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80804517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).