3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione

C17H28N4O6 — CID 21421669

IUPAC3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(CN2CC(C)(C)C(=O)N(CCO)C2=O)C(=O)N(CCO)C1=O
InChIInChI=1S/C17H28N4O6/c1-16(2)9-18(14(26)20(5-7-22)12(16)24)11-19-10-17(3,4)13(25)21(6-8-23)15(19)27/h22-23H,5-11H2,1-4H3
InChIKeyFMIDMVYCTYVKBK-UHFFFAOYSA-N
MW384.43 g/mol
LogP-0.49
Rot. Bonds6

About 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione

3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione (PubChem CID 21421669) has the molecular formula C17H28N4O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione
PubChem CID21421669
Molecular FormulaC17H28N4O6
Molecular Weight384.43 g/mol
Exact Mass384.20
IUPAC Name3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione
SMILESCC1(C)CN(CN2CC(C)(C)C(=O)N(CCO)C2=O)C(=O)N(CCO)C1=O
InChIInChI=1S/C17H28N4O6/c1-16(2)9-18(14(26)20(5-7-22)12(16)24)11-19-10-17(3,4)13(25)21(6-8-23)15(19)27/h22-23H,5-11H2,1-4H3
InChIKeyFMIDMVYCTYVKBK-UHFFFAOYSA-N
XLogP-0.49
TPSA121.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

3-(2-Hydroxypropyl)-1-[[3-(2-hydroxypropyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione
CID 21434677
1-[2-[(3-Ethyl-2-oxo-1,3-diazinan-1-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 59141684
1-Ethyl-3-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione
CID 85773510
1-[3,5-Bis[3-[ethyl(2-hydroxyethyl)amino]propanoyl]-1,3,5-triazinan-1-yl]-3-[ethyl(2-hydroxyethyl)amino]propan-1-one
CID 118048048

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione (CID 21421669) is 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione is CC1(C)CN(CN2CC(C)(C)C(=O)N(CCO)C2=O)C(=O)N(CCO)C1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione?
The InChIKey is FMIDMVYCTYVKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O6/c1-16(2)9-18(14(26)20(5-7-22)12(16)24)11-19-10-17(3,4)13(25)21(6-8-23)15(19)27/h22-23H,5-11H2,1-4H3.
What are the key properties of 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione?
3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione has a molecular weight of 384.43 g/mol, XLogP of -0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1-[[3-(2-hydroxyethyl)-5,5-dimethyl-2,4-dioxo-1,3-diazinan-1-yl]methyl]-5,5-dimethyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 21421669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).