2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride

C11H21Cl2N5O2 — CID 135998859

IUPAC2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
SMILESCC(C)(C)OCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl
InChIInChI=1S/C11H19N5O2.2ClH/c1-11(2,3)18-5-6-4-13-8-7(14-6)9(17)16-10(12)15-8;;/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17);2*1H
InChIKeyKENZSHKKKUIIMC-UHFFFAOYSA-N
MW326.23 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride

2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride (PubChem CID 135998859) has the molecular formula C11H21Cl2N5O2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
PubChem CID135998859
Molecular FormulaC11H21Cl2N5O2
Molecular Weight326.23 g/mol
Exact Mass325.11
IUPAC Name2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride
SMILESCC(C)(C)OCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl
InChIInChI=1S/C11H19N5O2.2ClH/c1-11(2,3)18-5-6-4-13-8-7(14-6)9(17)16-10(12)15-8;;/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17);2*1H
InChIKeyKENZSHKKKUIIMC-UHFFFAOYSA-N
XLogP1.22
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-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-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The IUPAC name of 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride (CID 135998859) is 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride.
What is the SMILES notation for 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The canonical SMILES for 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride is CC(C)(C)OCC1CNc2nc(N)[nH]c(=O)c2N1.Cl.Cl.
What is the InChIKey of 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
The InChIKey is KENZSHKKKUIIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2.2ClH/c1-11(2,3)18-5-6-4-13-8-7(14-6)9(17)16-10(12)15-8;;/h6,14H,4-5H2,1-3H3,(H4,12,13,15,16,17);2*1H.
What are the key properties of 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride?
2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride has a molecular weight of 326.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]-5,6,7,8-tetrahydro-3H-pteridin-4-one;dihydrochloride is sourced from PubChem (CID 135998859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).