5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C17H23N3O3 — CID 2836534

IUPAC5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/C23CC4CC(CC(C4)C2)C3)c(=O)n(C)c1=O
InChIInChI=1S/C17H23N3O3/c1-19-14(21)13(15(22)20(2)16(19)23)9-18-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12,21H,3-8H2,1-2H3/b18-9+
InChIKeyYURZKFSXRNSURQ-GIJQJNRQSA-N
MW317.39 g/mol
LogP1.18
Rot. Bonds2

About 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2836534) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2836534
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/C23CC4CC(CC(C4)C2)C3)c(=O)n(C)c1=O
InChIInChI=1S/C17H23N3O3/c1-19-14(21)13(15(22)20(2)16(19)23)9-18-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12,21H,3-8H2,1-2H3/b18-9+
InChIKeyYURZKFSXRNSURQ-GIJQJNRQSA-N
XLogP1.18
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.18
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-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 2836534) is 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/C23CC4CC(CC(C4)C2)C3)c(=O)n(C)c1=O.
What is the InChIKey of 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is YURZKFSXRNSURQ-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19-14(21)13(15(22)20(2)16(19)23)9-18-17-6-10-3-11(7-17)5-12(4-10)8-17/h9-12,21H,3-8H2,1-2H3/b18-9+.
What are the key properties of 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 317.39 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantyliminomethyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2836534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).