5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine

C12H12BrClN4 — CID 80760864

IUPAC5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C12H12BrClN4/c1-2-15-12-16-7-8(13)11(18-12)17-10-6-4-3-5-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyFAOMWFVJQVVULO-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.07
Rot. Bonds4

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

5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80760864) has the molecular formula C12H12BrClN4 and a molecular weight of 327.61 g/mol. Its IUPAC name is 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80760864
Molecular FormulaC12H12BrClN4
Molecular Weight327.61 g/mol
Exact Mass325.99
IUPAC Name5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(Nc2ccccc2Cl)n1
InChIInChI=1S/C12H12BrClN4/c1-2-15-12-16-7-8(13)11(18-12)17-10-6-4-3-5-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18)
InChIKeyFAOMWFVJQVVULO-UHFFFAOYSA-N
XLogP4.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-N-ethyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 80754775
4-N-(2-chlorophenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80760295
5-bromo-4-N-(2-tert-butylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80822328
5-bromo-2-N-ethyl-4-N-(2,4,5-trichlorophenyl)pyrimidine-2,4-diamine
CID 80759727
5-bromo-2-chloro-N-(2-chlorophenyl)pyrimidin-4-amine
CID 79075649
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
4-N-(4-bromo-2,3-dichlorophenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 107794871
2-N-(2-chlorophenyl)-4-N,6-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 7589368
4-N-(2-chlorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80761320
4-N-(2,3-dichlorophenyl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80755406
5-bromo-4-N-(5-bromo-2,4-difluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 102855605
5-bromo-N-(3-chloro-2-methylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927863

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 80760864) is 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1ncc(Br)c(Nc2ccccc2Cl)n1.
What is the InChIKey of 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is FAOMWFVJQVVULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4/c1-2-15-12-16-7-8(13)11(18-12)17-10-6-4-3-5-9(10)14/h3-7H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine?
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 327.61 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80760864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).