3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea

C9H18N4O2 — CID 535921

IUPAC3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea
SMILESCC1CC(NC(=O)N(C)C)N(C)C(=O)N1
InChIInChI=1S/C9H18N4O2/c1-6-5-7(11-8(14)12(2)3)13(4)9(15)10-6/h6-7H,5H2,1-4H3,(H,10,15)(H,11,14)
InChIKeySCKOURIILZUGMP-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.02
Rot. Bonds1

About 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea

3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea (PubChem CID 535921) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea
PubChem CID535921
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea
SMILESCC1CC(NC(=O)N(C)C)N(C)C(=O)N1
InChIInChI=1S/C9H18N4O2/c1-6-5-7(11-8(14)12(2)3)13(4)9(15)10-6/h6-7H,5H2,1-4H3,(H,10,15)(H,11,14)
InChIKeySCKOURIILZUGMP-UHFFFAOYSA-N
XLogP0.02
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea?
The IUPAC name of 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea (CID 535921) is 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea is CC1CC(NC(=O)N(C)C)N(C)C(=O)N1.
What is the InChIKey of 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea?
The InChIKey is SCKOURIILZUGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-6-5-7(11-8(14)12(2)3)13(4)9(15)10-6/h6-7H,5H2,1-4H3,(H,10,15)(H,11,14).
What are the key properties of 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea?
3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea has a molecular weight of 214.27 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethyl-2-oxo-1,3-diazinan-4-yl)-1,1-dimethylurea is sourced from PubChem (CID 535921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).