2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

C9H15N5O2 — CID 135546359

IUPAC2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCCOCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O2/c1-2-16-4-5-3-11-7-6(12-5)8(15)14-9(10)13-7/h5,12H,2-4H2,1H3,(H4,10,11,13,14,15)
InChIKeyNMIQOXGUPYGAFM-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.41
Rot. Bonds3

About 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135546359) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135546359
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCCOCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H15N5O2/c1-2-16-4-5-3-11-7-6(12-5)8(15)14-9(10)13-7/h5,12H,2-4H2,1H3,(H4,10,11,13,14,15)
InChIKeyNMIQOXGUPYGAFM-UHFFFAOYSA-N
XLogP-0.41
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135546359) is 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is CCOCC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is NMIQOXGUPYGAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-16-4-5-3-11-7-6(12-5)8(15)14-9(10)13-7/h5,12H,2-4H2,1H3,(H4,10,11,13,14,15).
What are the key properties of 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 225.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135546359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).