4-ethoxypteridin-2-amine

C8H9N5O — CID 11367513

IUPAC4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2nccnc12
InChIInChI=1S/C8H9N5O/c1-2-14-7-5-6(11-4-3-10-5)12-8(9)13-7/h3-4H,2H2,1H3,(H2,9,11,12,13)
InChIKeyVAJUOMDDHCPZHT-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.40
Rot. Bonds2

About 4-ethoxypteridin-2-amine

4-ethoxypteridin-2-amine (PubChem CID 11367513) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 4-ethoxypteridin-2-amine.

Molecular Properties

Compound Name4-ethoxypteridin-2-amine
PubChem CID11367513
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name4-ethoxypteridin-2-amine
SMILESCCOc1nc(N)nc2nccnc12
InChIInChI=1S/C8H9N5O/c1-2-14-7-5-6(11-4-3-10-5)12-8(9)13-7/h3-4H,2H2,1H3,(H2,9,11,12,13)
InChIKeyVAJUOMDDHCPZHT-UHFFFAOYSA-N
XLogP0.40
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxypteridin-2-amine?
The IUPAC name of 4-ethoxypteridin-2-amine (CID 11367513) is 4-ethoxypteridin-2-amine.
What is the SMILES notation for 4-ethoxypteridin-2-amine?
The canonical SMILES for 4-ethoxypteridin-2-amine is CCOc1nc(N)nc2nccnc12.
What is the InChIKey of 4-ethoxypteridin-2-amine?
The InChIKey is VAJUOMDDHCPZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-2-14-7-5-6(11-4-3-10-5)12-8(9)13-7/h3-4H,2H2,1H3,(H2,9,11,12,13).
What are the key properties of 4-ethoxypteridin-2-amine?
4-ethoxypteridin-2-amine has a molecular weight of 191.19 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxypteridin-2-amine is sourced from PubChem (CID 11367513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).