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

C19H32N4O6 — CID 21434677

IUPAC3-(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
SMILESCC(O)CN1C(=O)N(CN2CC(C)(C)C(=O)N(CC(C)O)C2=O)CC(C)(C)C1=O
InChIInChI=1S/C19H32N4O6/c1-12(24)7-22-14(26)18(3,4)9-20(16(22)28)11-21-10-19(5,6)15(27)23(17(21)29)8-13(2)25/h12-13,24-25H,7-11H2,1-6H3
InChIKeyFFLONLOEMTWNED-UHFFFAOYSA-N
MW412.49 g/mol
LogP0.29
Rot. Bonds6

About 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

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 (PubChem CID 21434677) has the molecular formula C19H32N4O6 and a molecular weight of 412.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID21434677
Molecular FormulaC19H32N4O6
Molecular Weight412.49 g/mol
Exact Mass412.23
IUPAC Name3-(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
SMILESCC(O)CN1C(=O)N(CN2CC(C)(C)C(=O)N(CC(C)O)C2=O)CC(C)(C)C1=O
InChIInChI=1S/C19H32N4O6/c1-12(24)7-22-14(26)18(3,4)9-20(16(22)28)11-21-10-19(5,6)15(27)23(17(21)29)8-13(2)25/h12-13,24-25H,7-11H2,1-6H3
InChIKeyFFLONLOEMTWNED-UHFFFAOYSA-N
XLogP0.29
TPSA121.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(O)CN1C(=O)N(CN2CC(C)(C)C(=O)N(CC(C)O)C2=O)CC(C)(C)C1=O.
What is the InChIKey of 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?
The InChIKey is FFLONLOEMTWNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O6/c1-12(24)7-22-14(26)18(3,4)9-20(16(22)28)11-21-10-19(5,6)15(27)23(17(21)29)8-13(2)25/h12-13,24-25H,7-11H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 412.49 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21434677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).