1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione

C17H24N4O6 — CID 3110024

IUPAC1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(Cc2c(C)n(CCO)c(=O)n(C)c2=O)c(=O)n(C)c(=O)n1CCO
InChIInChI=1S/C17H24N4O6/c1-10-12(14(24)18(3)16(26)20(10)5-7-22)9-13-11(2)21(6-8-23)17(27)19(4)15(13)25/h22-23H,5-9H2,1-4H3
InChIKeyWUQXGVQKPVDJMA-UHFFFAOYSA-N
MW380.40 g/mol
LogP-2.40
Rot. Bonds6

About 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione

1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 3110024) has the molecular formula C17H24N4O6 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione
PubChem CID3110024
Molecular FormulaC17H24N4O6
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC Name1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(Cc2c(C)n(CCO)c(=O)n(C)c2=O)c(=O)n(C)c(=O)n1CCO
InChIInChI=1S/C17H24N4O6/c1-10-12(14(24)18(3)16(26)20(10)5-7-22)9-13-11(2)21(6-8-23)17(27)19(4)15(13)25/h22-23H,5-9H2,1-4H3
InChIKeyWUQXGVQKPVDJMA-UHFFFAOYSA-N
XLogP-2.40
TPSA128.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 5-2.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione (CID 3110024) is 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione is Cc1c(Cc2c(C)n(CCO)c(=O)n(C)c2=O)c(=O)n(C)c(=O)n1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is WUQXGVQKPVDJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O6/c1-10-12(14(24)18(3)16(26)20(10)5-7-22)9-13-11(2)21(6-8-23)17(27)19(4)15(13)25/h22-23H,5-9H2,1-4H3.
What are the key properties of 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione?
1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 380.40 g/mol, XLogP of -2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-[[1-(2-hydroxyethyl)-3,6-dimethyl-2,4-dioxopyrimidin-5-yl]methyl]-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3110024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).