6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione

C10H14N2O4 — CID 10513409

IUPAC6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC(C)(CO)O2
InChIInChI=1S/C10H14N2O4/c1-10(5-13)4-6-7(14)11(2)9(15)12(3)8(6)16-10/h13H,4-5H2,1-3H3
InChIKeyXKVQQGZHHXMRJI-UHFFFAOYSA-N
MW226.23 g/mol
LogP-1.23
Rot. Bonds1

About 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione

6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione (PubChem CID 10513409) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione
PubChem CID10513409
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)n(C)c1=O)CC(C)(CO)O2
InChIInChI=1S/C10H14N2O4/c1-10(5-13)4-6-7(14)11(2)9(15)12(3)8(6)16-10/h13H,4-5H2,1-3H3
InChIKeyXKVQQGZHHXMRJI-UHFFFAOYSA-N
XLogP-1.23
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,10R,12S)-2-(2-hydroxyethyl)-5,7,13,13-tetramethyl-3-oxa-5,7-diazatetracyclo[10.1.1.02,10.04,9]tetradec-4(9)-ene-6,8-dione
CID 134695136
2-(hydroxymethyl)-2,4,5-trimethyl-3H-pyran-6-one
CID 145005091
1,3-dimethyl-1'-[(1-methylpyrazol-4-yl)methyl]spiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione
CID 155986978
1'-[4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)butanoyl]-1,3-dimethylspiro[5H-furo[2,3-d]pyrimidine-6,4'-azepane]-2,4-dione
CID 155989812
3-ethyl-5-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064735
4-hydroxy-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-6-carboxylic acid
CID 123822677
(6aS,9R,10aS)-2,4,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydroisochromeno[3,4-d]pyrimidine-1,3-dione
CID 12682591
1,3-dimethyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidine-2,4-dione
CID 134536380
1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-dione
CID 102513259
2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 121218657
1,3-dimethyl-5H-chromeno[2,3-d]pyrimidine-2,4-dione
CID 102511831
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione (CID 10513409) is 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)n(C)c1=O)CC(C)(CO)O2.
What is the InChIKey of 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XKVQQGZHHXMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(5-13)4-6-7(14)11(2)9(15)12(3)8(6)16-10/h13H,4-5H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione?
6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 226.23 g/mol, XLogP of -1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1,3,6-trimethyl-5H-furo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 10513409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).