2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine

C11H10BrFN4 — CID 107590931

IUPAC2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
SMILESCc1cc(F)c(Br)cc1Nc1ncc(N)cn1
InChIInChI=1S/C11H10BrFN4/c1-6-2-9(13)8(12)3-10(6)17-11-15-4-7(14)5-16-11/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyYIOWBGCMTMRRHV-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.01
Rot. Bonds2

About 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine

2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine (PubChem CID 107590931) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
PubChem CID107590931
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine
SMILESCc1cc(F)c(Br)cc1Nc1ncc(N)cn1
InChIInChI=1S/C11H10BrFN4/c1-6-2-9(13)8(12)3-10(6)17-11-15-4-7(14)5-16-11/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyYIOWBGCMTMRRHV-UHFFFAOYSA-N
XLogP3.01
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(3-bromo-4-fluorophenyl)pyrimidine-2,5-diamine
CID 104775622
3,5-dibromo-N-(5-bromo-4-fluoro-2-methylphenyl)pyridin-2-amine
CID 107593871
3-N-(5-bromo-4-fluoro-2-methylphenyl)pyridine-2,3-diamine
CID 107591065
2-N-(4-chloro-2-methylphenyl)pyrimidine-2,5-diamine
CID 82290977
4-bromo-2-N-(4-bromo-5-fluoro-2-methylphenyl)-5-fluorobenzene-1,2-diamine
CID 116736340
4-N-(5-bromo-4-fluoro-2-methylphenyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 107594445
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399
4-N-(5-bromo-4-fluoro-2-methylphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 107594483
N-(5-bromo-4-fluoro-2-methylphenyl)-2,3,5,6-tetrafluoropyridin-4-amine
CID 107593334
2-N-(5-bromo-4-fluoro-2-methylphenyl)-6-chloropyridine-2,3-diamine
CID 107591031
1-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590972
6-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carbothioamide
CID 107592467

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine (CID 107590931) is 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine is Cc1cc(F)c(Br)cc1Nc1ncc(N)cn1.
What is the InChIKey of 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine?
The InChIKey is YIOWBGCMTMRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-6-2-9(13)8(12)3-10(6)17-11-15-4-7(14)5-16-11/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine?
2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine has a molecular weight of 297.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-4-fluoro-2-methylphenyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 107590931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).