1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione

C8H12N2O3 — CID 818132

IUPAC1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCO
InChIInChI=1S/C8H12N2O3/c1-6-5-7(12)9(2)8(13)10(6)3-4-11/h5,11H,3-4H2,1-2H3
InChIKeyGYWRYEFCAAOKPT-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.15
Rot. Bonds2

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

1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 818132) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione
PubChem CID818132
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCO
InChIInChI=1S/C8H12N2O3/c1-6-5-7(12)9(2)8(13)10(6)3-4-11/h5,11H,3-4H2,1-2H3
InChIKeyGYWRYEFCAAOKPT-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 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione (CID 818132) is 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is GYWRYEFCAAOKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-5-7(12)9(2)8(13)10(6)3-4-11/h5,11H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione?
1-(2-hydroxyethyl)-3,6-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 1-(2-hydroxyethyl)-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 818132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).