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

C10H19Cl2N5O2 — CID 135998861

IUPAC2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
SMILESCCCOCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl
InChIInChI=1S/C10H17N5O2.2ClH/c1-2-3-17-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8;;/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16);2*1H
InChIKeyLHQPZHWQDCGJKJ-UHFFFAOYSA-N
MW312.20 g/mol
LogP0.83
Rot. Bonds4

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

2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride (PubChem CID 135998861) has the molecular formula C10H19Cl2N5O2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
PubChem CID135998861
Molecular FormulaC10H19Cl2N5O2
Molecular Weight312.20 g/mol
Exact Mass311.09
IUPAC Name2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
SMILESCCCOCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl
InChIInChI=1S/C10H17N5O2.2ClH/c1-2-3-17-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8;;/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16);2*1H
InChIKeyLHQPZHWQDCGJKJ-UHFFFAOYSA-N
XLogP0.83
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The IUPAC name of 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride (CID 135998861) is 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride.
What is the SMILES notation for 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The canonical SMILES for 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride is CCCOCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl.
What is the InChIKey of 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The InChIKey is LHQPZHWQDCGJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2.2ClH/c1-2-3-17-5-6-4-12-8-7(13-6)9(16)15-10(11)14-8;;/h6,13H,2-5H2,1H3,(H4,11,12,14,15,16);2*1H.
What are the key properties of 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride has a molecular weight of 312.20 g/mol, XLogP of 0.83, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(propoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride is sourced from PubChem (CID 135998861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).