5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

C13H14BrClN4 — CID 80794306

IUPAC5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14BrClN4/c1-16-13-17-7-11(14)12(18-13)19(2)8-9-4-3-5-10(15)6-9/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeyRNSCVDSLVASSPB-UHFFFAOYSA-N
MW341.64 g/mol
LogP3.57
Rot. Bonds4

About 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine

5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 80794306) has the molecular formula C13H14BrClN4 and a molecular weight of 341.64 g/mol. Its IUPAC name is 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID80794306
Molecular FormulaC13H14BrClN4
Molecular Weight341.64 g/mol
Exact Mass340.01
IUPAC Name5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)Cc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14BrClN4/c1-16-13-17-7-11(14)12(18-13)19(2)8-9-4-3-5-10(15)6-9/h3-7H,8H2,1-2H3,(H,16,17,18)
InChIKeyRNSCVDSLVASSPB-UHFFFAOYSA-N
XLogP3.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.64
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-N-[(3-chlorophenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80794744
5-chloro-N-[(3-chlorophenyl)methyl]-2-hydrazinyl-N-methylpyrimidin-4-amine
CID 80898727
5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80782012
5-bromo-2-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 79075988
5-bromo-2-N-[(3-chlorophenyl)methyl]-2-N-methylpyridine-2,3-diamine
CID 61413712
2-N-[(3-chlorophenyl)methyl]-2-N,4-N,4-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 80777695
5-bromo-2-N,4-N-dimethyl-4-N-propylpyrimidine-2,4-diamine
CID 80776307
3-[[methyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 80823780
5-bromo-4-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80845628
2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
CID 81131729
5-bromo-N-[(3-chlorophenyl)methyl]-N-methylpyridin-3-amine
CID 115656903
5-bromo-2-chloro-N-methyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 79076488

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine (CID 80794306) is 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is CNc1ncc(Br)c(N(C)Cc2cccc(Cl)c2)n1.
What is the InChIKey of 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is RNSCVDSLVASSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN4/c1-16-13-17-7-11(14)12(18-13)19(2)8-9-4-3-5-10(15)6-9/h3-7H,8H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine?
5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 341.64 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[(3-chlorophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80794306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).