6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine

C13H13N7O — CID 68774151

IUPAC6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C13H13N7O/c1-2-21-12-10-11(19-13(15)20-12)17-6-8(18-10)7-3-4-9(14)16-5-7/h3-6H,2H2,1H3,(H2,14,16)(H2,15,17,19,20)
InChIKeyINISBMRISVNGQU-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.04
Rot. Bonds3

About 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine

6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine (PubChem CID 68774151) has the molecular formula C13H13N7O and a molecular weight of 283.30 g/mol. Its IUPAC name is 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine.

Molecular Properties

Compound Name6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine
PubChem CID68774151
Molecular FormulaC13H13N7O
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2ncc(-c3ccc(N)nc3)nc12
InChIInChI=1S/C13H13N7O/c1-2-21-12-10-11(19-13(15)20-12)17-6-8(18-10)7-3-4-9(14)16-5-7/h3-6H,2H2,1H3,(H2,14,16)(H2,15,17,19,20)
InChIKeyINISBMRISVNGQU-UHFFFAOYSA-N
XLogP1.04
TPSA125.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine?
The IUPAC name of 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine (CID 68774151) is 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine.
What is the SMILES notation for 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine?
The canonical SMILES for 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine is CCOc1nc(N)nc2ncc(-c3ccc(N)nc3)nc12.
What is the InChIKey of 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine?
The InChIKey is INISBMRISVNGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O/c1-2-21-12-10-11(19-13(15)20-12)17-6-8(18-10)7-3-4-9(14)16-5-7/h3-6H,2H2,1H3,(H2,14,16)(H2,15,17,19,20).
What are the key properties of 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine?
6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine has a molecular weight of 283.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-3-pyridinyl)-4-ethoxypteridin-2-amine is sourced from PubChem (CID 68774151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).