2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine

C23H23N5O3 — CID 11697378

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4nc(C)no4)c3)nc(OC)n2)cc1
InChIInChI=1S/C23H23N5O3/c1-15-25-22(31-28-15)18-6-4-5-17(13-18)20-14-21(27-23(26-20)30-3)24-12-11-16-7-9-19(29-2)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,24,26,27)
InChIKeyAYXXHCUFRBZXMN-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.17
Rot. Bonds8

About 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 11697378) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID11697378
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4nc(C)no4)c3)nc(OC)n2)cc1
InChIInChI=1S/C23H23N5O3/c1-15-25-22(31-28-15)18-6-4-5-17(13-18)20-14-21(27-23(26-20)30-3)24-12-11-16-7-9-19(29-2)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,24,26,27)
InChIKeyAYXXHCUFRBZXMN-UHFFFAOYSA-N
XLogP4.17
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine (CID 11697378) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3cccc(-c4nc(C)no4)c3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is AYXXHCUFRBZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-15-25-22(31-28-15)18-6-4-5-17(13-18)20-14-21(27-23(26-20)30-3)24-12-11-16-7-9-19(29-2)10-8-16/h4-10,13-14H,11-12H2,1-3H3,(H,24,26,27).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 417.47 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 11697378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).