6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine

C18H16ClN3O3 — CID 156704962

IUPAC6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c(Oc3ccccc3OC)c(Cl)n2)c1
InChIInChI=1S/C18H16ClN3O3/c1-23-12-7-5-6-11(10-12)18-21-16(19)15(17(20)22-18)25-14-9-4-3-8-13(14)24-2/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyZPXYUELRCAJWRK-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.19
Rot. Bonds5

About 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine

6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine (PubChem CID 156704962) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine
PubChem CID156704962
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1cccc(-c2nc(N)c(Oc3ccccc3OC)c(Cl)n2)c1
InChIInChI=1S/C18H16ClN3O3/c1-23-12-7-5-6-11(10-12)18-21-16(19)15(17(20)22-18)25-14-9-4-3-8-13(14)24-2/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyZPXYUELRCAJWRK-UHFFFAOYSA-N
XLogP4.19
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-Amino-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-yl]oxyethanol
CID 156704948
6-Chloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704955
2-[6-Amino-2-(3-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704957
Dhps-IN-1
CID 156704958
6-Chloro-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704961
6-Chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine
CID 156704966
6-Chloro-2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704967
2-[6-Amino-2-(3-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 156704973
2-Benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 166626381
5-Methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
CID 1472565
2-[6-Amino-2-benzyl-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxyethanol
CID 166636085
4-Chloro-5-phenoxy-2-phenylpyrimidine
CID 824762

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine (CID 156704962) is 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine is COc1cccc(-c2nc(N)c(Oc3ccccc3OC)c(Cl)n2)c1.
What is the InChIKey of 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is ZPXYUELRCAJWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-23-12-7-5-6-11(10-12)18-21-16(19)15(17(20)22-18)25-14-9-4-3-8-13(14)24-2/h3-10H,1-2H3,(H2,20,21,22).
What are the key properties of 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine?
6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 357.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 156704962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).