N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine

C13H12BrClFN3 — CID 107602346

IUPACN-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2c(F)cccc2Br)n1
InChIInChI=1S/C13H12BrClFN3/c1-2-4-11-17-10(15)7-12(18-11)19-13-8(14)5-3-6-9(13)16/h3,5-7H,2,4H2,1H3,(H,17,18,19)
InChIKeyJVDKDOUYONWYGA-UHFFFAOYSA-N
MW344.62 g/mol
LogP4.73
Rot. Bonds4

About N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine

N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine (PubChem CID 107602346) has the molecular formula C13H12BrClFN3 and a molecular weight of 344.62 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
PubChem CID107602346
Molecular FormulaC13H12BrClFN3
Molecular Weight344.62 g/mol
Exact Mass342.99
IUPAC NameN-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(Nc2c(F)cccc2Br)n1
InChIInChI=1S/C13H12BrClFN3/c1-2-4-11-17-10(15)7-12(18-11)19-13-8(14)5-3-6-9(13)16/h3,5-7H,2,4H2,1H3,(H,17,18,19)
InChIKeyJVDKDOUYONWYGA-UHFFFAOYSA-N
XLogP4.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine
CID 107614936
4-N-(2-bromo-6-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107604632
N-(2-bromo-6-fluorophenyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 107602353
N-(2,6-difluorophenyl)-6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80946886
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820
6-chloro-N-(3-chlorophenyl)-2-propylpyrimidin-4-amine
CID 80938749
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
4-N-(2-bromo-6-fluorophenyl)-2-(methoxymethyl)-6-N-methylpyrimidine-4,6-diamine
CID 107604540
6-chloro-N-(4-methylsulfanylphenyl)-2-propylpyrimidin-4-amine
CID 80939171
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
6-chloro-N-(2-propan-2-ylphenyl)-2-propylpyrimidin-4-amine
CID 80939396
4-chloro-6-(2-fluorophenyl)sulfanyl-2-propylpyrimidine
CID 80945968

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine (CID 107602346) is N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine is CCCc1nc(Cl)cc(Nc2c(F)cccc2Br)n1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine?
The InChIKey is JVDKDOUYONWYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClFN3/c1-2-4-11-17-10(15)7-12(18-11)19-13-8(14)5-3-6-9(13)16/h3,5-7H,2,4H2,1H3,(H,17,18,19).
What are the key properties of N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine?
N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine has a molecular weight of 344.62 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-6-chloro-2-propylpyrimidin-4-amine is sourced from PubChem (CID 107602346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).