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

C24H24N4O3 — CID 11495368

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4cc(C)no4)c3)nc(OC)n2)cc1
InChIInChI=1S/C24H24N4O3/c1-16-13-22(31-28-16)19-6-4-5-18(14-19)21-15-23(27-24(26-21)30-3)25-12-11-17-7-9-20(29-2)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,26,27)
InChIKeyGKSSZYQAUXFHQH-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.78
Rot. Bonds8

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

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine (PubChem CID 11495368) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
PubChem CID11495368
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cccc(-c4cc(C)no4)c3)nc(OC)n2)cc1
InChIInChI=1S/C24H24N4O3/c1-16-13-22(31-28-16)19-6-4-5-18(14-19)21-15-23(27-24(26-21)30-3)25-12-11-17-7-9-20(29-2)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,26,27)
InChIKeyGKSSZYQAUXFHQH-UHFFFAOYSA-N
XLogP4.78
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine (CID 11495368) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-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-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3cccc(-c4cc(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-oxazol-5-yl)phenyl]pyrimidin-4-amine?
The InChIKey is GKSSZYQAUXFHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-16-13-22(31-28-16)19-6-4-5-18(14-19)21-15-23(27-24(26-21)30-3)25-12-11-17-7-9-20(29-2)10-8-17/h4-10,13-15H,11-12H2,1-3H3,(H,25,26,27).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]pyrimidin-4-amine has a molecular weight of 416.48 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-oxazol-5-yl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 11495368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).