(4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one

C8H16N2O — CID 12965079

IUPAC(4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one
SMILESC[C@H]1C[C@H](C)N(C)C(=O)N1C
InChIInChI=1S/C8H16N2O/c1-6-5-7(2)10(4)8(11)9(6)3/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyQILHMGCWRRVVLN-BQBZGAKWSA-N
MW156.23 g/mol
LogP1.15
Rot. Bonds

About (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one

(4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one (PubChem CID 12965079) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one
PubChem CID12965079
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one
SMILESC[C@H]1C[C@H](C)N(C)C(=O)N1C
InChIInChI=1S/C8H16N2O/c1-6-5-7(2)10(4)8(11)9(6)3/h6-7H,5H2,1-4H3/t6-,7-/m0/s1
InChIKeyQILHMGCWRRVVLN-BQBZGAKWSA-N
XLogP1.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one?
The IUPAC name of (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one (CID 12965079) is (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one.
What is the SMILES notation for (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one?
The canonical SMILES for (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one is C[C@H]1C[C@H](C)N(C)C(=O)N1C.
What is the InChIKey of (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one?
The InChIKey is QILHMGCWRRVVLN-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-5-7(2)10(4)8(11)9(6)3/h6-7H,5H2,1-4H3/t6-,7-/m0/s1.
What are the key properties of (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one?
(4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-1,3,4,6-tetramethyl-1,3-diazinan-2-one is sourced from PubChem (CID 12965079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).