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

C10H9BrN4 — CID 87114632

IUPAC2-bromo-4-N-phenylpyrimidine-4,5-diamine
SMILESNc1cnc(Br)nc1Nc1ccccc1
InChIInChI=1S/C10H9BrN4/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14,15)
InChIKeyYQPCPIRMOJDEKY-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.56
Rot. Bonds2

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

2-bromo-4-N-phenylpyrimidine-4,5-diamine (PubChem CID 87114632) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-bromo-4-N-phenylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-bromo-4-N-phenylpyrimidine-4,5-diamine
PubChem CID87114632
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name2-bromo-4-N-phenylpyrimidine-4,5-diamine
SMILESNc1cnc(Br)nc1Nc1ccccc1
InChIInChI=1S/C10H9BrN4/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14,15)
InChIKeyYQPCPIRMOJDEKY-UHFFFAOYSA-N
XLogP2.56
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-N-phenylpyrimidine-4,5-diamine?
The IUPAC name of 2-bromo-4-N-phenylpyrimidine-4,5-diamine (CID 87114632) is 2-bromo-4-N-phenylpyrimidine-4,5-diamine.
What is the SMILES notation for 2-bromo-4-N-phenylpyrimidine-4,5-diamine?
The canonical SMILES for 2-bromo-4-N-phenylpyrimidine-4,5-diamine is Nc1cnc(Br)nc1Nc1ccccc1.
What is the InChIKey of 2-bromo-4-N-phenylpyrimidine-4,5-diamine?
The InChIKey is YQPCPIRMOJDEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14,15).
What are the key properties of 2-bromo-4-N-phenylpyrimidine-4,5-diamine?
2-bromo-4-N-phenylpyrimidine-4,5-diamine has a molecular weight of 265.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-N-phenylpyrimidine-4,5-diamine is sourced from PubChem (CID 87114632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).