6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine

C13H13Cl2N3 — CID 114256298

IUPAC6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H13Cl2N3/c1-3-12-17-11(15)7-13(18-12)16-10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyALVINLSSMLCVJA-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.40
Rot. Bonds3

About 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine

6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine (PubChem CID 114256298) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
PubChem CID114256298
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H13Cl2N3/c1-3-12-17-11(15)7-13(18-12)16-10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyALVINLSSMLCVJA-UHFFFAOYSA-N
XLogP4.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256281
4-chloro-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]benzonitrile
CID 80935656
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
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
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 108778186
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine (CID 114256298) is 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine is CCc1nc(Cl)cc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine?
The InChIKey is ALVINLSSMLCVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-3-12-17-11(15)7-13(18-12)16-10-5-4-9(14)6-8(10)2/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine?
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 114256298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).