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

C8H12N2O3 — CID 12641799

IUPAC3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCO)c(=O)n1C
InChIInChI=1S/C8H12N2O3/c1-6-5-7(12)10(3-4-11)8(13)9(6)2/h5,11H,3-4H2,1-2H3
InChIKeyADEOCYXMKZBKCX-UHFFFAOYSA-N
MW184.19 g/mol
LogP-1.15
Rot. Bonds2

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

3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione (PubChem CID 12641799) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione
PubChem CID12641799
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCO)c(=O)n1C
InChIInChI=1S/C8H12N2O3/c1-6-5-7(12)10(3-4-11)8(13)9(6)2/h5,11H,3-4H2,1-2H3
InChIKeyADEOCYXMKZBKCX-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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Related Compounds

3-(2-Hydroxyethyl)-6-methyluracil
CID 2802244
N(1),N(3)-Diallyl-6-methyluracil
CID 173882
1,6-Dimethyl-3-ethyluracil
CID 21627127
Cambridge id 5267242
CID 2056159
1-(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 819272
1,3-Bis(2-hydroxyethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 2783724
1,3-Diethyl-6-methyluracil
CID 12357931
1,3-Bis(2-hydroxyethyl)-5-hydroxy-6-methyluracil
CID 129744804
3-(2-Hydroxypropyl)-6-methyluracil
CID 129807550
6-[[4-(2-Hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 71900502
1H-Pyrimidine-2,4-dione, 1-[4-(2-hydroxyethylamino)butyl]-3,6-dimethyl-
CID 3645072
6-(Hydroxymethyl)-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 557707

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione (CID 12641799) is 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(CCO)c(=O)n1C.
What is the InChIKey of 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione?
The InChIKey is ADEOCYXMKZBKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6-5-7(12)10(3-4-11)8(13)9(6)2/h5,11H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione?
3-(2-hydroxyethyl)-1,6-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 3-(2-hydroxyethyl)-1,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 12641799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).