5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine

C10H8BrFN4 — CID 161031254

IUPAC5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H8BrFN4/c11-7-8(15-10(14)16-9(7)13)5-1-3-6(12)4-2-5/h1-4H,(H4,13,14,15,16)
InChIKeyMQMQVPXPIMUCJU-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.21
Rot. Bonds1

About 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine

5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine (PubChem CID 161031254) has the molecular formula C10H8BrFN4 and a molecular weight of 283.10 g/mol. Its IUPAC name is 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine
PubChem CID161031254
Molecular FormulaC10H8BrFN4
Molecular Weight283.10 g/mol
Exact Mass281.99
IUPAC Name5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(Br)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C10H8BrFN4/c11-7-8(15-10(14)16-9(7)13)5-1-3-6(12)4-2-5/h1-4H,(H4,13,14,15,16)
InChIKeyMQMQVPXPIMUCJU-UHFFFAOYSA-N
XLogP2.21
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine (CID 161031254) is 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine is Nc1nc(N)c(Br)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine?
The InChIKey is MQMQVPXPIMUCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4/c11-7-8(15-10(14)16-9(7)13)5-1-3-6(12)4-2-5/h1-4H,(H4,13,14,15,16).
What are the key properties of 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine?
5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine has a molecular weight of 283.10 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(4-fluorophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 161031254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).