4-ethoxy-6-pyridin-3-ylpteridin-2-amine

C13H12N6O — CID 68775933

IUPAC4-ethoxy-6-pyridin-3-ylpteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cccnc3)nc12
InChIInChI=1S/C13H12N6O/c1-2-20-12-10-11(18-13(14)19-12)16-7-9(17-10)8-4-3-5-15-6-8/h3-7H,2H2,1H3,(H2,14,16,18,19)
InChIKeyIKOONOXEQYZGEN-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.46
Rot. Bonds3

About 4-ethoxy-6-pyridin-3-ylpteridin-2-amine

4-ethoxy-6-pyridin-3-ylpteridin-2-amine (PubChem CID 68775933) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-ethoxy-6-pyridin-3-ylpteridin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-pyridin-3-ylpteridin-2-amine
PubChem CID68775933
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name4-ethoxy-6-pyridin-3-ylpteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3cccnc3)nc12
InChIInChI=1S/C13H12N6O/c1-2-20-12-10-11(18-13(14)19-12)16-7-9(17-10)8-4-3-5-15-6-8/h3-7H,2H2,1H3,(H2,14,16,18,19)
InChIKeyIKOONOXEQYZGEN-UHFFFAOYSA-N
XLogP1.46
TPSA99.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-pyridin-3-ylpteridin-2-amine?
The IUPAC name of 4-ethoxy-6-pyridin-3-ylpteridin-2-amine (CID 68775933) is 4-ethoxy-6-pyridin-3-ylpteridin-2-amine.
What is the SMILES notation for 4-ethoxy-6-pyridin-3-ylpteridin-2-amine?
The canonical SMILES for 4-ethoxy-6-pyridin-3-ylpteridin-2-amine is CCOc1nc(N)nc2ncc(-c3cccnc3)nc12.
What is the InChIKey of 4-ethoxy-6-pyridin-3-ylpteridin-2-amine?
The InChIKey is IKOONOXEQYZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c1-2-20-12-10-11(18-13(14)19-12)16-7-9(17-10)8-4-3-5-15-6-8/h3-7H,2H2,1H3,(H2,14,16,18,19).
What are the key properties of 4-ethoxy-6-pyridin-3-ylpteridin-2-amine?
4-ethoxy-6-pyridin-3-ylpteridin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-pyridin-3-ylpteridin-2-amine is sourced from PubChem (CID 68775933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).