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

C12H12BrN3 — CID 67249356

IUPACN-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine
SMILESCc1cc(Br)cc(Nc2nccc(C)n2)c1
InChIInChI=1S/C12H12BrN3/c1-8-5-10(13)7-11(6-8)16-12-14-4-3-9(2)15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyUPNUBFXGVUTGGF-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.60
Rot. Bonds2

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

N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine (PubChem CID 67249356) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine
PubChem CID67249356
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC NameN-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine
SMILESCc1cc(Br)cc(Nc2nccc(C)n2)c1
InChIInChI=1S/C12H12BrN3/c1-8-5-10(13)7-11(6-8)16-12-14-4-3-9(2)15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyUPNUBFXGVUTGGF-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107580994
N-(3-bromo-5-methylphenyl)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-amine
CID 131743508
N-(3-fluoro-5-methoxyphenyl)-4-methylpyrimidin-2-amine
CID 133362348
4-(2-bromo-1,3-thiazol-4-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11233745
N-(3-bromo-5-methylsulfanylphenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 139397128
N-(3-bromo-5-methylphenyl)-4-(1-propan-2-ylpyrrolo[2,3-c]pyridin-3-yl)pyrimidin-2-amine
CID 58367911
2-N-(3,5-dimethylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881826
5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 63874390
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-[4-(2-chloroethyl)phenyl]-4-methylpyrimidin-2-amine
CID 65027900

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine (CID 67249356) is N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine is Cc1cc(Br)cc(Nc2nccc(C)n2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine?
The InChIKey is UPNUBFXGVUTGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-5-10(13)7-11(6-8)16-12-14-4-3-9(2)15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine?
N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 67249356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).