5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine

C20H19Cl2N3O — CID 144611809

IUPAC5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(N(C)CCc2ccc(Oc3ccc(Cl)cc3)cc2)c1Cl
InChIInChI=1S/C20H19Cl2N3O/c1-14-19(22)20(24-13-23-14)25(2)12-11-15-3-7-17(8-4-15)26-18-9-5-16(21)6-10-18/h3-10,13H,11-12H2,1-2H3
InChIKeyGUNFFYGOMMWFTM-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.56
Rot. Bonds6

About 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine

5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 144611809) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID144611809
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1ncnc(N(C)CCc2ccc(Oc3ccc(Cl)cc3)cc2)c1Cl
InChIInChI=1S/C20H19Cl2N3O/c1-14-19(22)20(24-13-23-14)25(2)12-11-15-3-7-17(8-4-15)26-18-9-5-16(21)6-10-18/h3-10,13H,11-12H2,1-2H3
InChIKeyGUNFFYGOMMWFTM-UHFFFAOYSA-N
XLogP5.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine (CID 144611809) is 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine is Cc1ncnc(N(C)CCc2ccc(Oc3ccc(Cl)cc3)cc2)c1Cl.
What is the InChIKey of 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is GUNFFYGOMMWFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-14-19(22)20(24-13-23-14)25(2)12-11-15-3-7-17(8-4-15)26-18-9-5-16(21)6-10-18/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine?
5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 388.30 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(4-chlorophenoxy)phenyl]ethyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 144611809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).