5-(4-bromophenyl)pyrimidine-2,4-diamine

C10H9BrN4 — CID 504037

IUPAC5-(4-bromophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(Br)cc2)c(N)n1
InChIInChI=1S/C10H9BrN4/c11-7-3-1-6(2-4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKeyIWDAHOVNULEPPT-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.07
Rot. Bonds1

About 5-(4-bromophenyl)pyrimidine-2,4-diamine

5-(4-bromophenyl)pyrimidine-2,4-diamine (PubChem CID 504037) has the molecular formula C10H9BrN4 and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-(4-bromophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-bromophenyl)pyrimidine-2,4-diamine
PubChem CID504037
Molecular FormulaC10H9BrN4
Molecular Weight265.11 g/mol
Exact Mass264.00
IUPAC Name5-(4-bromophenyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(Br)cc2)c(N)n1
InChIInChI=1S/C10H9BrN4/c11-7-3-1-6(2-4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15)
InChIKeyIWDAHOVNULEPPT-UHFFFAOYSA-N
XLogP2.07
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(4-bromophenyl)pyrimidine-2,4-diamine (CID 504037) is 5-(4-bromophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-bromophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-bromophenyl)pyrimidine-2,4-diamine is Nc1ncc(-c2ccc(Br)cc2)c(N)n1.
What is the InChIKey of 5-(4-bromophenyl)pyrimidine-2,4-diamine?
The InChIKey is IWDAHOVNULEPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4/c11-7-3-1-6(2-4-7)8-5-14-10(13)15-9(8)12/h1-5H,(H4,12,13,14,15).
What are the key properties of 5-(4-bromophenyl)pyrimidine-2,4-diamine?
5-(4-bromophenyl)pyrimidine-2,4-diamine has a molecular weight of 265.11 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 504037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).