2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine

C10H8BrFN4 — CID 104775622

IUPAC2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
SMILESNc1cnc(Nc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C10H8BrFN4/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyDRNORHGTPWOJNO-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.70
Rot. Bonds2

About 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine

2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine (PubChem CID 104775622) has the molecular formula C10H8BrFN4 and a molecular weight of 283.10 g/mol. Its IUPAC name is 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
PubChem CID104775622
Molecular FormulaC10H8BrFN4
Molecular Weight283.10 g/mol
Exact Mass281.99
IUPAC Name2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
SMILESNc1cnc(Nc2ccc(F)c(Br)c2)nc1
InChIInChI=1S/C10H8BrFN4/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2,(H,14,15,16)
InChIKeyDRNORHGTPWOJNO-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromo-4-fluorophenyl)-3-chloropyridine-2,5-diamine
CID 114046311
2-N-[3-bromo-4-(trifluoromethoxy)phenyl]pyrimidine-2,5-diamine
CID 107335782
3,5-dibromo-N-(3-bromo-4-fluorophenyl)pyridin-2-amine
CID 104778643
5-bromo-4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104781960
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
CID 107590931
5-amino-6-(3-bromo-4-fluoroanilino)pyridine-3-carboxylic acid
CID 113452425
4-N-(3-bromo-4-fluorophenyl)quinazoline-4,7-diamine
CID 104775655
4-N-(3-bromo-4-fluorophenyl)quinoline-4,7-diamine
CID 103001760
5-bromo-N-(3-bromo-4-fluorophenyl)pyridin-3-amine
CID 104780278
6-N-(3-bromo-4-fluorophenyl)pyridine-2,3,6-triamine
CID 104775528
6-bromo-4-N-(3-bromo-4-fluorophenyl)quinoline-3,4-diamine
CID 104775577
4-N-(3-bromo-4-fluorophenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 104781958

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine (CID 104775622) is 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine is Nc1cnc(Nc2ccc(F)c(Br)c2)nc1.
What is the InChIKey of 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine?
The InChIKey is DRNORHGTPWOJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN4/c11-8-3-7(1-2-9(8)12)16-10-14-4-6(13)5-15-10/h1-5H,13H2,(H,14,15,16).
What are the key properties of 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine?
2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine has a molecular weight of 283.10 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 104775622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).