(6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one

C14H19N3O — CID 141279766

IUPAC(6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C=N[C@](C)(c2cccc(N)c2)C(C)(C)C1=O
InChIInChI=1S/C14H19N3O/c1-13(2)12(18)17(4)9-16-14(13,3)10-6-5-7-11(15)8-10/h5-9H,15H2,1-4H3/t14-/m1/s1
InChIKeyBPSPZNPBAKKJIA-CQSZACIVSA-N
MW245.33 g/mol
LogP2.01
Rot. Bonds1

About (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one

(6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one (PubChem CID 141279766) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one.

Molecular Properties

Compound Name(6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one
PubChem CID141279766
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one
SMILESCN1C=N[C@](C)(c2cccc(N)c2)C(C)(C)C1=O
InChIInChI=1S/C14H19N3O/c1-13(2)12(18)17(4)9-16-14(13,3)10-6-5-7-11(15)8-10/h5-9H,15H2,1-4H3/t14-/m1/s1
InChIKeyBPSPZNPBAKKJIA-CQSZACIVSA-N
XLogP2.01
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-6-(3-aminophenyl)-3,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 58634076
3-[(4R)-2-amino-1,4,5,5-tetramethyl-6-oxopyrimidin-4-yl]benzamide
CID 57496605
4-amino-6-[3-(3-aminophenyl)phenyl]-3,6-dimethyl-1H-1,3,5-triazin-2-one
CID 70316871
(6R)-2,3,5,5,6-pentamethyl-6-(3-nitrophenyl)pyrimidin-4-one
CID 58082851
ethane;3-(2-methyl-1,3-dioxolan-2-yl)aniline
CID 142184021
2-(3-aminophenyl)-4-methyl-1,4-benzoxazin-3-one
CID 116990980
(6S)-6-(5-amino-2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 141279779
(5R,6S)-2-amino-6-(3-aminophenyl)-3,6-dimethyl-5-[4-(2-oxo-1-pyridinyl)phenyl]-5H-pyrimidin-4-one
CID 89247746
6-(3-aminophenyl)-3-methyl-6-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 20702478
3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 155822812
3-(3-aminophenyl)-4-methyl-1,2,4-oxadiazol-5-one
CID 115018388
(5R)-5-(3-aminophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
CID 57495971

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one?
The IUPAC name of (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one (CID 141279766) is (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one.
What is the SMILES notation for (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one?
The canonical SMILES for (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one is CN1C=N[C@](C)(c2cccc(N)c2)C(C)(C)C1=O.
What is the InChIKey of (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one?
The InChIKey is BPSPZNPBAKKJIA-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3O/c1-13(2)12(18)17(4)9-16-14(13,3)10-6-5-7-11(15)8-10/h5-9H,15H2,1-4H3/t14-/m1/s1.
What are the key properties of (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one?
(6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one has a molecular weight of 245.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(3-aminophenyl)-3,5,5,6-tetramethylpyrimidin-4-one is sourced from PubChem (CID 141279766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).