2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione

C9H11N5O3 — CID 171384290

IUPAC2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione
SMILESCC(C)Oc1nc(N)nc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H11N5O3/c1-3(2)17-8-4-5(13-9(10)14-8)12-7(16)6(15)11-4/h3H,1-2H3,(H,11,15)(H3,10,12,13,14,16)
InChIKeyLMTDFXYUZYSPJT-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.62
Rot. Bonds2

About 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione

2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione (PubChem CID 171384290) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione.

Molecular Properties

Compound Name2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione
PubChem CID171384290
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione
SMILESCC(C)Oc1nc(N)nc2[nH]c(=O)c(=O)[nH]c12
InChIInChI=1S/C9H11N5O3/c1-3(2)17-8-4-5(13-9(10)14-8)12-7(16)6(15)11-4/h3H,1-2H3,(H,11,15)(H3,10,12,13,14,16)
InChIKeyLMTDFXYUZYSPJT-UHFFFAOYSA-N
XLogP-0.62
TPSA126.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione?
The IUPAC name of 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione (CID 171384290) is 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione.
What is the SMILES notation for 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione?
The canonical SMILES for 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione is CC(C)Oc1nc(N)nc2[nH]c(=O)c(=O)[nH]c12.
What is the InChIKey of 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione?
The InChIKey is LMTDFXYUZYSPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-3(2)17-8-4-5(13-9(10)14-8)12-7(16)6(15)11-4/h3H,1-2H3,(H,11,15)(H3,10,12,13,14,16).
What are the key properties of 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione?
2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione has a molecular weight of 237.22 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-propan-2-yloxy-5,8-dihydropteridine-6,7-dione is sourced from PubChem (CID 171384290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).