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

C8H15Cl2N5O2 — CID 135998863

IUPAC2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
SMILESCOCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl
InChIInChI=1S/C8H13N5O2.2ClH/c1-15-3-4-2-10-6-5(11-4)7(14)13-8(9)12-6;;/h4,11H,2-3H2,1H3,(H4,9,10,12,13,14);2*1H
InChIKeySNBJOBVYFXULDZ-UHFFFAOYSA-N
MW284.15 g/mol
LogP0.05
Rot. Bonds2

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

2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride (PubChem CID 135998863) has the molecular formula C8H15Cl2N5O2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
PubChem CID135998863
Molecular FormulaC8H15Cl2N5O2
Molecular Weight284.15 g/mol
Exact Mass283.06
IUPAC Name2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
SMILESCOCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl
InChIInChI=1S/C8H13N5O2.2ClH/c1-15-3-4-2-10-6-5(11-4)7(14)13-8(9)12-6;;/h4,11H,2-3H2,1H3,(H4,9,10,12,13,14);2*1H
InChIKeySNBJOBVYFXULDZ-UHFFFAOYSA-N
XLogP0.05
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The IUPAC name of 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride (CID 135998863) is 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride.
What is the SMILES notation for 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The canonical SMILES for 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride is COCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl.
What is the InChIKey of 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The InChIKey is SNBJOBVYFXULDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2.2ClH/c1-15-3-4-2-10-6-5(11-4)7(14)13-8(9)12-6;;/h4,11H,2-3H2,1H3,(H4,9,10,12,13,14);2*1H.
What are the key properties of 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride has a molecular weight of 284.15 g/mol, XLogP of 0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(methoxymethyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride is sourced from PubChem (CID 135998863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).