3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione

C8H12N2O3 — CID 67779778

IUPAC3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn(C)c(=O)n(CCO)c1=O
InChIInChI=1S/C8H12N2O3/c1-6-5-9(2)8(13)10(3-4-11)7(6)12/h5,11H,3-4H2,1-2H3
InChIKeyQDROATCRTNBWCC-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.15
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione

3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 67779778) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione
PubChem CID67779778
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1cn(C)c(=O)n(CCO)c1=O
InChIInChI=1S/C8H12N2O3/c1-6-5-9(2)8(13)10(3-4-11)7(6)12/h5,11H,3-4H2,1-2H3
InChIKeyQDROATCRTNBWCC-UHFFFAOYSA-N
XLogP-1.15
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione (CID 67779778) is 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione is Cc1cn(C)c(=O)n(CCO)c1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is QDROATCRTNBWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-5-9(2)8(13)10(3-4-11)7(6)12/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione?
3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 67779778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).