N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine

C12H11BrClN3 — CID 79073488

IUPACN-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
SMILESCc1ccc(Nc2nc(Cl)ncc2C)cc1Br
InChIInChI=1S/C12H11BrClN3/c1-7-3-4-9(5-10(7)13)16-11-8(2)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyKNYPBWHYDDNSFR-UHFFFAOYSA-N
MW312.60 g/mol
LogP4.25
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine

N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine (PubChem CID 79073488) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
PubChem CID79073488
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC NameN-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
SMILESCc1ccc(Nc2nc(Cl)ncc2C)cc1Br
InChIInChI=1S/C12H11BrClN3/c1-7-3-4-9(5-10(7)13)16-11-8(2)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17)
InChIKeyKNYPBWHYDDNSFR-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)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
5-[(2-chloro-5-methylpyrimidin-4-yl)amino]isoindole-1,3-dione
CID 79076256
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
2-chloro-5-fluoro-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 79080415
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405
2-chloro-5-methyl-N-(3-nitrosophenyl)pyrimidin-4-amine
CID 89102641
2-chloro-5-methyl-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 59174493
2-chloro-4-[3-(dimethylsulfamoylamino)anilino]-5-methylpyrimidine
CID 129046624
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]benzoic acid
CID 166067233
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
4-N-(3-bromo-4-iodophenyl)-5-methylpyrimidine-2,4-diamine
CID 114262803
N-(4-bromo-3-chlorophenyl)-2-chloro-5-fluoropyrimidin-4-amine
CID 107614995

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine (CID 79073488) is N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine is Cc1ccc(Nc2nc(Cl)ncc2C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine?
The InChIKey is KNYPBWHYDDNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-7-3-4-9(5-10(7)13)16-11-8(2)6-15-12(14)17-11/h3-6H,1-2H3,(H,15,16,17).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine?
N-(3-bromo-4-methylphenyl)-2-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-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 79073488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).