4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine

C18H16N6O2 — CID 24794459

IUPAC4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3c(-c4ccccc4)noc3C)nc12
InChIInChI=1S/C18H16N6O2/c1-3-25-17-15-16(22-18(19)23-17)20-9-12(21-15)13-10(2)26-24-14(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H2,19,20,22,23)
InChIKeyCCYUZNSBEKAWOQ-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.03
Rot. Bonds4

About 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine

4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine (PubChem CID 24794459) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine
PubChem CID24794459
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3c(-c4ccccc4)noc3C)nc12
InChIInChI=1S/C18H16N6O2/c1-3-25-17-15-16(22-18(19)23-17)20-9-12(21-15)13-10(2)26-24-14(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H2,19,20,22,23)
InChIKeyCCYUZNSBEKAWOQ-UHFFFAOYSA-N
XLogP3.03
TPSA112.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine?
The IUPAC name of 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine (CID 24794459) is 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine is CCOc1nc(N)nc2ncc(-c3c(-c4ccccc4)noc3C)nc12.
What is the InChIKey of 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine?
The InChIKey is CCYUZNSBEKAWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c1-3-25-17-15-16(22-18(19)23-17)20-9-12(21-15)13-10(2)26-24-14(13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H2,19,20,22,23).
What are the key properties of 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine?
4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine has a molecular weight of 348.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pteridin-2-amine is sourced from PubChem (CID 24794459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).