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

C18H16ClN3O3 — CID 156704953

IUPAC6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c(Oc3ccccc3OC)c(Cl)n2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-23-12-9-7-11(8-10-12)18-21-16(19)15(17(20)22-18)25-14-6-4-3-5-13(14)24-2/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyZBBKVRMNTFQDHZ-UHFFFAOYSA-N
MW357.80 g/mol
LogP4.19
Rot. Bonds5

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

6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine (PubChem CID 156704953) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine
PubChem CID156704953
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc(-c2nc(N)c(Oc3ccccc3OC)c(Cl)n2)cc1
InChIInChI=1S/C18H16ClN3O3/c1-23-12-9-7-11(8-10-12)18-21-16(19)15(17(20)22-18)25-14-6-4-3-5-13(14)24-2/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyZBBKVRMNTFQDHZ-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine (CID 156704953) is 6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine is COc1ccc(-c2nc(N)c(Oc3ccccc3OC)c(Cl)n2)cc1.
What is the InChIKey of 6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is ZBBKVRMNTFQDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-23-12-9-7-11(8-10-12)18-21-16(19)15(17(20)22-18)25-14-6-4-3-5-13(14)24-2/h3-10H,1-2H3,(H2,20,21,22).
What are the key properties of 6-chloro-5-(2-methoxyphenoxy)-2-(4-methoxyphenyl)pyrimidin-4-amine?
6-chloro-5-(2-methoxyphenoxy)-2-(4-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-(4-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 156704953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).