4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine

C11H10BrFN4 — CID 80759361

IUPAC4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H10BrFN4/c1-14-11-15-5-4-10(17-11)16-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyPHBPBEXEZUHXHN-UHFFFAOYSA-N
MW297.13 g/mol
LogP3.16
Rot. Bonds3

About 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine

4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80759361) has the molecular formula C11H10BrFN4 and a molecular weight of 297.13 g/mol. Its IUPAC name is 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80759361
Molecular FormulaC11H10BrFN4
Molecular Weight297.13 g/mol
Exact Mass296.01
IUPAC Name4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccc(Br)cc2F)n1
InChIInChI=1S/C11H10BrFN4/c1-14-11-15-5-4-10(17-11)16-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H2,14,15,16,17)
InChIKeyPHBPBEXEZUHXHN-UHFFFAOYSA-N
XLogP3.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
4-N-(5-bromo-2-chlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80824850
4-N-(3-bromo-4-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 104782032
4-N-(4-bromo-2-methylphenyl)-2-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906391
4-N-(2-chloro-4-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755520
4-N-(5-fluoro-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80762283
4-N-(3,5-difluorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761660
N-(2,4-difluorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80927965
2-N-(3-bromophenyl)-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 112903448
2-N-(4-bromo-2-fluorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80760222
2-N-(4-bromophenyl)-4-N-(2,3,4-trifluorophenyl)pyrimidine-2,4-diamine
CID 112904489
4-N-(2,4-dibromo-5-methoxyphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 103417160

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine (CID 80759361) is 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is CNc1nccc(Nc2ccc(Br)cc2F)n1.
What is the InChIKey of 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is PHBPBEXEZUHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN4/c1-14-11-15-5-4-10(17-11)16-9-3-2-7(12)6-8(9)13/h2-6H,1H3,(H2,14,15,16,17).
What are the key properties of 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine?
4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 297.13 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2-fluorophenyl)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80759361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).