(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one

C10H20N2O — CID 139472829

IUPAC(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one
SMILESC[C@@H]1CCN(C)C(=O)N1C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8-6-7-11(5)9(13)12(8)10(2,3)4/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyMAUUPUCBRMGZFD-MRVPVSSYSA-N
MW184.28 g/mol
LogP1.93
Rot. Bonds

About (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one

(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one (PubChem CID 139472829) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one
PubChem CID139472829
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one
SMILESC[C@@H]1CCN(C)C(=O)N1C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-8-6-7-11(5)9(13)12(8)10(2,3)4/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyMAUUPUCBRMGZFD-MRVPVSSYSA-N
XLogP1.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethylimidazolidin-2-one;bis(1,3-dimethylpyrrolidin-2-one)
CID 160661672
2-[(6R)-3,6-dimethyl-2-oxo-1,3-diazinan-1-yl]ethanesulfonamide
CID 122702147
(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
CID 155363836
1,3-dimethylimidazolidin-2-one;hydrate
CID 68782599
1,3-dimethylpyrrolidin-2-one;ethane
CID 142056309
(3S)-1,3-dimethylpyrrolidin-2-one;ethane
CID 144550831
1,4-ditert-butyl-6-methylpiperazin-2-one
CID 138627508
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
2-tert-butyl-1-hydroxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 130145222
3,5-ditert-butyl-3a,6,7,7a-tetrahydro-1H-imidazo[4,5-c]pyridine-2,4-dione
CID 59067699
(2R,3aR,6aR)-2-[(2S,3aS,6aR)-4-tert-butyl-6-methyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4-tert-butyl-6-methyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
CID 7310776
3-tert-butyl-4-methyl-2-methylidene-1,3-oxazolidine
CID 72516655

Frequently Asked Questions

What is the IUPAC name of (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one?
The IUPAC name of (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one (CID 139472829) is (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one.
What is the SMILES notation for (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one?
The canonical SMILES for (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one is C[C@@H]1CCN(C)C(=O)N1C(C)(C)C.
What is the InChIKey of (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one?
The InChIKey is MAUUPUCBRMGZFD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8-6-7-11(5)9(13)12(8)10(2,3)4/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one?
(4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-tert-butyl-1,4-dimethyl-1,3-diazinan-2-one is sourced from PubChem (CID 139472829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).