6-(hydroxymethyl)-1H-pteridine-2,4-dione

C7H6N4O3 — CID 6325373

IUPAC6-(hydroxymethyl)-1H-pteridine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc(CO)cnc2[nH]1
InChIInChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14)
InChIKeySQXCACKAQINDFU-UHFFFAOYSA-N
MW194.15 g/mol
LogP-1.50
Rot. Bonds1

About 6-(hydroxymethyl)-1H-pteridine-2,4-dione

6-(hydroxymethyl)-1H-pteridine-2,4-dione (PubChem CID 6325373) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1H-pteridine-2,4-dione.

Molecular Properties

Compound Name6-(hydroxymethyl)-1H-pteridine-2,4-dione
PubChem CID6325373
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name6-(hydroxymethyl)-1H-pteridine-2,4-dione
SMILESO=c1[nH]c(=O)c2nc(CO)cnc2[nH]1
InChIInChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14)
InChIKeySQXCACKAQINDFU-UHFFFAOYSA-N
XLogP-1.50
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1H-pteridine-2,4-dione?
The IUPAC name of 6-(hydroxymethyl)-1H-pteridine-2,4-dione (CID 6325373) is 6-(hydroxymethyl)-1H-pteridine-2,4-dione.
What is the SMILES notation for 6-(hydroxymethyl)-1H-pteridine-2,4-dione?
The canonical SMILES for 6-(hydroxymethyl)-1H-pteridine-2,4-dione is O=c1[nH]c(=O)c2nc(CO)cnc2[nH]1.
What is the InChIKey of 6-(hydroxymethyl)-1H-pteridine-2,4-dione?
The InChIKey is SQXCACKAQINDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-2-3-1-8-5-4(9-3)6(13)11-7(14)10-5/h1,12H,2H2,(H2,8,10,11,13,14).
What are the key properties of 6-(hydroxymethyl)-1H-pteridine-2,4-dione?
6-(hydroxymethyl)-1H-pteridine-2,4-dione has a molecular weight of 194.15 g/mol, XLogP of -1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1H-pteridine-2,4-dione is sourced from PubChem (CID 6325373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).