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

C18H16ClN3O2 — CID 156704959

IUPAC6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccc(C)cc2)nc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-11-7-9-12(10-8-11)18-21-16(19)15(17(20)22-18)24-14-6-4-3-5-13(14)23-2/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyXEPPPIACMMUTBG-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.49
Rot. Bonds4

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

6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 156704959) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine
PubChem CID156704959
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccccc1Oc1c(N)nc(-c2ccc(C)cc2)nc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-11-7-9-12(10-8-11)18-21-16(19)15(17(20)22-18)24-14-6-4-3-5-13(14)23-2/h3-10H,1-2H3,(H2,20,21,22)
InChIKeyXEPPPIACMMUTBG-UHFFFAOYSA-N
XLogP4.49
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine (CID 156704959) is 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine is COc1ccccc1Oc1c(N)nc(-c2ccc(C)cc2)nc1Cl.
What is the InChIKey of 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is XEPPPIACMMUTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-7-9-12(10-8-11)18-21-16(19)15(17(20)22-18)24-14-6-4-3-5-13(14)23-2/h3-10H,1-2H3,(H2,20,21,22).
What are the key properties of 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine?
6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 341.80 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2-methoxyphenoxy)-2-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 156704959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).