5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine

C12H12BrClN4 — CID 80802259

IUPAC5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1Br)c1ccccc1Cl
InChIInChI=1S/C12H12BrClN4/c1-7(8-4-2-3-5-10(8)14)17-11-9(13)6-16-12(15)18-11/h2-7H,1H3,(H3,15,16,17,18)
InChIKeyZVEDZKHYYNQOLT-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.65
Rot. Bonds3

About 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine

5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine (PubChem CID 80802259) has the molecular formula C12H12BrClN4 and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine
PubChem CID80802259
Molecular FormulaC12H12BrClN4
Molecular Weight327.61 g/mol
Exact Mass325.99
IUPAC Name5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine
SMILESCC(Nc1nc(N)ncc1Br)c1ccccc1Cl
InChIInChI=1S/C12H12BrClN4/c1-7(8-4-2-3-5-10(8)14)17-11-9(13)6-16-12(15)18-11/h2-7H,1H3,(H3,15,16,17,18)
InChIKeyZVEDZKHYYNQOLT-UHFFFAOYSA-N
XLogP3.65
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801571
5-chloro-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80801728
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyridine-3,4-diamine
CID 103517880
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
5-bromo-4-N-[1-(5-methylthiophen-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800412
4-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80765341
5-bromo-4-N-(3-chloro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80763006
5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
5-chloro-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80760078
5-chloro-4-N-[1-(2-chlorophenyl)ethyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80802191
5-bromo-4-[1-(2-chlorophenyl)ethylamino]-1H-pyrimidin-6-one
CID 136974899

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine (CID 80802259) is 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine is CC(Nc1nc(N)ncc1Br)c1ccccc1Cl.
What is the InChIKey of 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is ZVEDZKHYYNQOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4/c1-7(8-4-2-3-5-10(8)14)17-11-9(13)6-16-12(15)18-11/h2-7H,1H3,(H3,15,16,17,18).
What are the key properties of 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine?
5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 327.61 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[1-(2-chlorophenyl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80802259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).