6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine

C12H10Cl2FN3 — CID 107530513

IUPAC6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H10Cl2FN3/c1-6-11(14)16-7(2)17-12(6)18-10-5-8(15)3-4-9(10)13/h3-5H,1-2H3,(H,16,17,18)
InChIKeyGQDMOFHRJUGWAV-UHFFFAOYSA-N
MW286.14 g/mol
LogP4.28
Rot. Bonds2

About 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 107530513) has the molecular formula C12H10Cl2FN3 and a molecular weight of 286.14 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
PubChem CID107530513
Molecular FormulaC12H10Cl2FN3
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(Nc2cc(F)ccc2Cl)n1
InChIInChI=1S/C12H10Cl2FN3/c1-6-11(14)16-7(2)17-12(6)18-10-5-8(15)3-4-9(10)13/h3-5H,1-2H3,(H,16,17,18)
InChIKeyGQDMOFHRJUGWAV-UHFFFAOYSA-N
XLogP4.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(2,5-difluorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 63733892
N-(2-chloro-4-fluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80918517
N-(4-bromo-2-chlorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63729411
6-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrimidin-4-amine
CID 63729895
3,6-dichloro-N-(2-chloro-5-fluorophenyl)-1,2,4-triazin-5-amine
CID 107530580
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629
4-chloro-N-(2-chloro-5-fluorophenyl)-1,2,5-thiadiazol-3-amine
CID 107530583
4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 107614914
N-(2,5-difluorophenyl)-6-hydrazinyl-2,5-dimethylpyrimidin-4-amine
CID 80921030
6-chloro-2-cyclopropyl-N-(5-fluoro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 80970382
4-N-(2-chloro-5-fluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 107531896

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine (CID 107530513) is 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(Nc2cc(F)ccc2Cl)n1.
What is the InChIKey of 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is GQDMOFHRJUGWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3/c1-6-11(14)16-7(2)17-12(6)18-10-5-8(15)3-4-9(10)13/h3-5H,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 286.14 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-5-fluorophenyl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 107530513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).