6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine

C12H9Cl2F2N3 — CID 83087255

IUPAC6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H9Cl2F2N3/c1-2-7-11(14)17-5-18-12(7)19-10-8(13)3-6(15)4-9(10)16/h3-5H,2H2,1H3,(H,17,18,19)
InChIKeyIPZYLVBMLOMPMK-UHFFFAOYSA-N
MW304.13 g/mol
LogP4.37
Rot. Bonds3

About 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine

6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine (PubChem CID 83087255) has the molecular formula C12H9Cl2F2N3 and a molecular weight of 304.13 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
PubChem CID83087255
Molecular FormulaC12H9Cl2F2N3
Molecular Weight304.13 g/mol
Exact Mass303.01
IUPAC Name6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H9Cl2F2N3/c1-2-7-11(14)17-5-18-12(7)19-10-8(13)3-6(15)4-9(10)16/h3-5H,2H2,1H3,(H,17,18,19)
InChIKeyIPZYLVBMLOMPMK-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 83082644
N-(2-chloro-4,6-difluorophenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 83083447
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
N-(2-chloro-4,6-difluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 83082645
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
6-chloro-5-ethyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63729623
6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
4-N-(2-chloro-4,6-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 83072877
6-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-ethylpyrimidin-4-amine
CID 63735092
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
3-N-(2-chloro-4,6-difluorophenyl)pyrazine-2,3-diamine
CID 102987080
3-chloro-2-N-(2-chloro-4,6-difluorophenyl)pyridine-2,5-diamine
CID 114046291

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine (CID 83087255) is 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine?
The InChIKey is IPZYLVBMLOMPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F2N3/c1-2-7-11(14)17-5-18-12(7)19-10-8(13)3-6(15)4-9(10)16/h3-5H,2H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine?
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine has a molecular weight of 304.13 g/mol, XLogP of 4.37, 3 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-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 83087255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).