4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine

C12H12BrClN4 — CID 81271742

IUPAC4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C12H12BrClN4/c1-6-11(15)16-7(2)17-12(6)18-10-5-8(14)3-4-9(10)13/h3-5H,1-2H3,(H3,15,16,17,18)
InChIKeyVXIFANBHUDJVKQ-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.84
Rot. Bonds2

About 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 81271742) has the molecular formula C12H12BrClN4 and a molecular weight of 327.61 g/mol. Its IUPAC name is 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID81271742
Molecular FormulaC12H12BrClN4
Molecular Weight327.61 g/mol
Exact Mass325.99
IUPAC Name4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(Nc2cc(Cl)ccc2Br)n1
InChIInChI=1S/C12H12BrClN4/c1-6-11(15)16-7(2)17-12(6)18-10-5-8(14)3-4-9(10)13/h3-5H,1-2H3,(H3,15,16,17,18)
InChIKeyVXIFANBHUDJVKQ-UHFFFAOYSA-N
XLogP3.84
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763515
4-N-(2-bromo-4-chlorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 81256059
4-N-(2,5-dimethylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80763496
4-N-(2-bromo-5-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 82758799
3-bromo-N-(2-bromo-5-chlorophenyl)-4-methylpyridin-2-amine
CID 106877332
N-(2-bromo-5-chlorophenyl)-3,5-difluoro-6-hydrazinylpyridin-2-amine
CID 114073489
4-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80749225
4-N-(2,6-dichloro-4-fluorophenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 83082156
1-N-(2-bromo-5-chlorophenyl)-3-methylbenzene-1,2-diamine
CID 114041326
4-N-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine-4,5-diamine
CID 81263462
4-N-(4-methoxy-2-methylphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80825346
4-N-(5-bromo-2-fluorophenyl)-2-tert-butyl-5-methylpyrimidine-4,6-diamine
CID 80986442

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine (CID 81271742) is 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(Nc2cc(Cl)ccc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is VXIFANBHUDJVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4/c1-6-11(15)16-7(2)17-12(6)18-10-5-8(14)3-4-9(10)13/h3-5H,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 327.61 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-5-chlorophenyl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 81271742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).