1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione

C9H14N2O4 — CID 2783724

IUPAC1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCO)c(=O)n1CCO
InChIInChI=1S/C9H14N2O4/c1-7-6-8(14)11(3-5-13)9(15)10(7)2-4-12/h6,12-13H,2-5H2,1H3
InChIKeyAAAPIPDCURLSDL-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.70
Rot. Bonds4

About 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione

1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione (PubChem CID 2783724) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
PubChem CID2783724
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCO)c(=O)n1CCO
InChIInChI=1S/C9H14N2O4/c1-7-6-8(14)11(3-5-13)9(15)10(7)2-4-12/h6,12-13H,2-5H2,1H3
InChIKeyAAAPIPDCURLSDL-UHFFFAOYSA-N
XLogP-1.70
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione (CID 2783724) is 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione is Cc1cc(=O)n(CCO)c(=O)n1CCO.
What is the InChIKey of 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione?
The InChIKey is AAAPIPDCURLSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-7-6-8(14)11(3-5-13)9(15)10(7)2-4-12/h6,12-13H,2-5H2,1H3.
What are the key properties of 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione?
1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxyethyl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 2783724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).