2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione

C10H13N5O3 — CID 171383924

IUPAC2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione
SMILESCC(C)Oc1nc(N)nc2c1[nH]c(=O)c(=O)n2C
InChIInChI=1S/C10H13N5O3/c1-4(2)18-8-5-6(13-10(11)14-8)15(3)9(17)7(16)12-5/h4H,1-3H3,(H,12,16)(H2,11,13,14)
InChIKeyKZYZCIFBFFVLSH-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.61
Rot. Bonds2

About 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione

2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione (PubChem CID 171383924) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione.

Molecular Properties

Compound Name2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione
PubChem CID171383924
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione
SMILESCC(C)Oc1nc(N)nc2c1[nH]c(=O)c(=O)n2C
InChIInChI=1S/C10H13N5O3/c1-4(2)18-8-5-6(13-10(11)14-8)15(3)9(17)7(16)12-5/h4H,1-3H3,(H,12,16)(H2,11,13,14)
InChIKeyKZYZCIFBFFVLSH-UHFFFAOYSA-N
XLogP-0.61
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione 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-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione?
The IUPAC name of 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione (CID 171383924) is 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione.
What is the SMILES notation for 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione?
The canonical SMILES for 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione is CC(C)Oc1nc(N)nc2c1[nH]c(=O)c(=O)n2C.
What is the InChIKey of 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione?
The InChIKey is KZYZCIFBFFVLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-4(2)18-8-5-6(13-10(11)14-8)15(3)9(17)7(16)12-5/h4H,1-3H3,(H,12,16)(H2,11,13,14).
What are the key properties of 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione?
2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione has a molecular weight of 251.25 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-4-propan-2-yloxy-5H-pteridine-6,7-dione is sourced from PubChem (CID 171383924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).