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

C10H17N5O3 — CID 135998856

IUPAC2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCOCCOCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O3/c1-17-2-3-18-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16)
InChIKeyMQRARKWZKYGPMP-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.78
Rot. Bonds5

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

2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135998856) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135998856
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCOCCOCC1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C10H17N5O3/c1-17-2-3-18-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16)
InChIKeyMQRARKWZKYGPMP-UHFFFAOYSA-N
XLogP-0.78
TPSA114.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135998856) is 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is COCCOCC1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is MQRARKWZKYGPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-17-2-3-18-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16).
What are the key properties of 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 255.28 g/mol, XLogP of -0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methoxyethoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135998856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).