(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one

C14H21N3O — CID 78225767

IUPAC(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one
SMILESCN1C(=O)C[C@@](C)(CCc2ccccc2)NC1N
InChIInChI=1S/C14H21N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7,13,16H,8-10,15H2,1-2H3/t13?,14-/m1/s1
InChIKeyBZPXPPSJDCNVKE-ARLHGKGLSA-N
MW247.34 g/mol
LogP1.07
Rot. Bonds3

About (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one

(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one (PubChem CID 78225767) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one.

Molecular Properties

Compound Name(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one
PubChem CID78225767
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one
SMILESCN1C(=O)C[C@@](C)(CCc2ccccc2)NC1N
InChIInChI=1S/C14H21N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7,13,16H,8-10,15H2,1-2H3/t13?,14-/m1/s1
InChIKeyBZPXPPSJDCNVKE-ARLHGKGLSA-N
XLogP1.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one?
The IUPAC name of (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one (CID 78225767) is (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one.
What is the SMILES notation for (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one?
The canonical SMILES for (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one is CN1C(=O)C[C@@](C)(CCc2ccccc2)NC1N.
What is the InChIKey of (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one?
The InChIKey is BZPXPPSJDCNVKE-ARLHGKGLSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(9-8-11-6-4-3-5-7-11)10-12(18)17(2)13(15)16-14/h3-7,13,16H,8-10,15H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one?
(6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-3,6-dimethyl-6-(2-phenylethyl)-1,3-diazinan-4-one is sourced from PubChem (CID 78225767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).