2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride

C8H14ClN5O — CID 154926016

IUPAC2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride
SMILESCC1Nc2nc(N)[nH]c(=O)c2NC1C.[Cl-].[H+]
InChIInChI=1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H
InChIKeyGIHYTRGUZVYCQX-UHFFFAOYSA-N
MW231.69 g/mol
LogP-2.92
Rot. Bonds

About 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride

2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride (PubChem CID 154926016) has the molecular formula C8H14ClN5O and a molecular weight of 231.69 g/mol. Its IUPAC name is 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride.

Molecular Properties

Compound Name2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride
PubChem CID154926016
Molecular FormulaC8H14ClN5O
Molecular Weight231.69 g/mol
Exact Mass231.09
IUPAC Name2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride
SMILESCC1Nc2nc(N)[nH]c(=O)c2NC1C.[Cl-].[H+]
InChIInChI=1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H
InChIKeyGIHYTRGUZVYCQX-UHFFFAOYSA-N
XLogP-2.92
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 5-2.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride 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-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride?
The IUPAC name of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride (CID 154926016) is 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride.
What is the SMILES notation for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride?
The canonical SMILES for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride is CC1Nc2nc(N)[nH]c(=O)c2NC1C.[Cl-].[H+].
What is the InChIKey of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride?
The InChIKey is GIHYTRGUZVYCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O.ClH/c1-3-4(2)11-6-5(10-3)7(14)13-8(9)12-6;/h3-4,10H,1-2H3,(H4,9,11,12,13,14);1H.
What are the key properties of 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride?
2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride has a molecular weight of 231.69 g/mol, XLogP of -2.92, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethyl-5,6,7,8-tetrahydro-3H-pteridin-4-one;hydron;chloride is sourced from PubChem (CID 154926016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).