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

C12H10BrClFN3 — CID 80943383

IUPACN-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H10BrClFN3/c1-2-11-17-10(14)6-12(18-11)16-9-4-3-7(15)5-8(9)13/h3-6H,2H2,1H3,(H,16,17,18)
InChIKeyFLWOGFQCIGDDCQ-UHFFFAOYSA-N
MW330.59 g/mol
LogP4.34
Rot. Bonds3

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

N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine (PubChem CID 80943383) has the molecular formula C12H10BrClFN3 and a molecular weight of 330.59 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
PubChem CID80943383
Molecular FormulaC12H10BrClFN3
Molecular Weight330.59 g/mol
Exact Mass328.97
IUPAC NameN-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C12H10BrClFN3/c1-2-11-17-10(14)6-12(18-11)16-9-4-3-7(15)5-8(9)13/h3-6H,2H2,1H3,(H,16,17,18)
InChIKeyFLWOGFQCIGDDCQ-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.59
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-fluorophenyl)-6-chloro-2-methylpyrimidin-4-amine
CID 62481305
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
6-chloro-N-(5-fluoro-2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80938347
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
N-(2-bromo-4-fluorophenyl)-6-chloropyrimidin-4-amine
CID 61279571
4-N-(2-chloro-4-fluorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80939052
4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256414
6-chloro-N-(2-chloro-5-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 107530548
4-N-(2-bromo-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80755574
6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-N-(4-chloro-2-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80939820

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine (CID 80943383) is N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine is CCc1nc(Cl)cc(Nc2ccc(F)cc2Br)n1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine?
The InChIKey is FLWOGFQCIGDDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3/c1-2-11-17-10(14)6-12(18-11)16-9-4-3-7(15)5-8(9)13/h3-6H,2H2,1H3,(H,16,17,18).
What are the key properties of N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine?
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine has a molecular weight of 330.59 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80943383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).