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

C17H18N4O3 — CID 11631233

IUPAC2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cnco3)nc(OC)n2)cc1
InChIInChI=1S/C17H18N4O3/c1-22-13-5-3-12(4-6-13)7-8-19-16-9-14(15-10-18-11-24-15)20-17(21-16)23-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyDIICPOQPLGGFEO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.80
Rot. Bonds7

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

2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine (PubChem CID 11631233) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine
PubChem CID11631233
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine
SMILESCOc1ccc(CCNc2cc(-c3cnco3)nc(OC)n2)cc1
InChIInChI=1S/C17H18N4O3/c1-22-13-5-3-12(4-6-13)7-8-19-16-9-14(15-10-18-11-24-15)20-17(21-16)23-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,21)
InChIKeyDIICPOQPLGGFEO-UHFFFAOYSA-N
XLogP2.80
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.80
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-(1,3-oxazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine (CID 11631233) is 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine is COc1ccc(CCNc2cc(-c3cnco3)nc(OC)n2)cc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine?
The InChIKey is DIICPOQPLGGFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-22-13-5-3-12(4-6-13)7-8-19-16-9-14(15-10-18-11-24-15)20-17(21-16)23-2/h3-6,9-11H,7-8H2,1-2H3,(H,19,20,21).
What are the key properties of 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine?
2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-(1,3-oxazol-5-yl)pyrimidin-4-amine has a molecular weight of 326.36 g/mol, XLogP of 2.80, 7 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-(1,3-oxazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 11631233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).