4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine

C11H10BrClN4 — CID 80760837

IUPAC4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(Nc2ccccc2Br)n1
InChIInChI=1S/C11H10BrClN4/c1-14-11-15-6-8(13)10(17-11)16-9-5-3-2-4-7(9)12/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyXJCRLVDGMJJAOW-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.68
Rot. Bonds3

About 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine

4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80760837) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
PubChem CID80760837
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(Nc2ccccc2Br)n1
InChIInChI=1S/C11H10BrClN4/c1-14-11-15-6-8(13)10(17-11)16-9-5-3-2-4-7(9)12/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyXJCRLVDGMJJAOW-UHFFFAOYSA-N
XLogP3.68
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-5-chloro-2-hydrazinylpyrimidin-4-amine
CID 80927953
4-N-(2-bromophenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80760549
4-N-(4-bromo-2-methylphenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80759455
5-chloro-4-N-(2-ethylsulfonylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 58748506
5-bromo-4-N-(3-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107638633
5-bromo-4-N-(2,4-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80759983
5-chloro-2-N-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 80755325
5-chloro-2-N-methyl-4-N-(2-pentan-3-ylsulfonylphenyl)pyrimidine-2,4-diamine
CID 58748507
5-bromo-4-N-(4-bromo-2,3-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 107794856
5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
CID 116785816
5-chloro-4-N-(2-fluoro-5-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755789
5-bromo-4-N-(2-chlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80760864

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine (CID 80760837) is 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(Nc2ccccc2Br)n1.
What is the InChIKey of 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is XJCRLVDGMJJAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-14-11-15-6-8(13)10(17-11)16-9-5-3-2-4-7(9)12/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine?
4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 313.59 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromophenyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80760837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).