5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine

C12H13BrN4 — CID 80767185

IUPAC5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)c2ccccc2)n1
InChIInChI=1S/C12H13BrN4/c1-14-12-15-8-10(13)11(16-12)17(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16)
InChIKeyIXLLCUZXYBPRJG-UHFFFAOYSA-N
MW293.17 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine

5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine (PubChem CID 80767185) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
PubChem CID80767185
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
SMILESCNc1ncc(Br)c(N(C)c2ccccc2)n1
InChIInChI=1S/C12H13BrN4/c1-14-12-15-8-10(13)11(16-12)17(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16)
InChIKeyIXLLCUZXYBPRJG-UHFFFAOYSA-N
XLogP3.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine (CID 80767185) is 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine is CNc1ncc(Br)c(N(C)c2ccccc2)n1.
What is the InChIKey of 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
The InChIKey is IXLLCUZXYBPRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-14-12-15-8-10(13)11(16-12)17(2)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine?
5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine has a molecular weight of 293.17 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 80767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).