5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C17H19N3O3 — CID 662319

IUPAC5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\c1ccc2c(c1)CCC2)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H19N3O3/c1-10(14-15(21)19(2)17(23)20(3)16(14)22)18-13-8-7-11-5-4-6-12(11)9-13/h7-9,21H,4-6H2,1-3H3/b18-10+
InChIKeySNIVINKGLOATLY-VCHYOVAHSA-N
MW313.36 g/mol
LogP1.42
Rot. Bonds2

About 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 662319) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID662319
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\c1ccc2c(c1)CCC2)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C17H19N3O3/c1-10(14-15(21)19(2)17(23)20(3)16(14)22)18-13-8-7-11-5-4-6-12(11)9-13/h7-9,21H,4-6H2,1-3H3/b18-10+
InChIKeySNIVINKGLOATLY-VCHYOVAHSA-N
XLogP1.42
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 662319) is 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is C/C(=N\c1ccc2c(c1)CCC2)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SNIVINKGLOATLY-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10(14-15(21)19(2)17(23)20(3)16(14)22)18-13-8-7-11-5-4-6-12(11)9-13/h7-9,21H,4-6H2,1-3H3/b18-10+.
What are the key properties of 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 313.36 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-(2,3-dihydro-1H-inden-5-yl)-C-methylcarbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 662319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).