Basic information
- CAS
64467-35-2- Standard SMILES
Cn1c(N)c(C(=O)N2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O- InChIKey
LOPKDFBMJCXVFK-UHFFFAOYSA-N- Molecular formula
- C17H21N5O3
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.16443955
Names & identifiers
- Preferred name
- 1-((6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)carbonyl)-4-phenyl-piperazine
- IUPAC
- 6-amino-1,3-dimethyl-5-(4-phenylpiperazine-1-carbonyl)pyrimidine-2,4-dione
Names & synonyms
GS2TRK7XXF64467-35-2Piperazine, 1-((6-amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)carbonyl)-4-phenyl-NSC-2792522,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-5-((4-phenyl-1-piperazinyl)carbonyl)-DTXSID402147251-((6-Amino-1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)carbonyl)-4-phenyl-piperazineRefChem:1053661DTXCID70137216MLS003115489NSC 279252BRN 0846988
Show more names
NSC279252UNII-GS2TRK7XXFCHEMBL1882415SMR0018310656-Amino-1,3-dimethyl-5-(4-phenylpiperazine-1-carbonyl)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
64467-35-2- PubChem CID
- 100271
- DTXSID
DTXSID40214725- ChEMBL
CHEMBL1882415- UNII
- GS2TRK7XXF
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 603
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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