N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine

C12H11BrClN3 — CID 55229097

IUPACN-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ncnc(Cl)c2C)ccc1Br
InChIInChI=1S/C12H11BrClN3/c1-7-5-9(3-4-10(7)13)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXBMKTOHRHDBNKJ-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.25
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine

N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine (PubChem CID 55229097) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
PubChem CID55229097
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC NameN-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1cc(Nc2ncnc(Cl)c2C)ccc1Br
InChIInChI=1S/C12H11BrClN3/c1-7-5-9(3-4-10(7)13)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17)
InChIKeyXBMKTOHRHDBNKJ-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421
6-chloro-5-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729328
6-chloro-N-(4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63735765
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 63735089
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55230638
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylpyrimidin-4-amine
CID 63729794
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63730041
N-(1-benzothiophen-5-yl)-6-chloro-5-methylpyrimidin-4-amine
CID 65452767

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine (CID 55229097) is N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine is Cc1cc(Nc2ncnc(Cl)c2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine?
The InChIKey is XBMKTOHRHDBNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-5-9(3-4-10(7)13)17-12-8(2)11(14)15-6-16-12/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine has a molecular weight of 312.60 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 55229097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).