6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione

C14H19N5O3 — CID 663317

IUPAC6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\CCCn1ccnc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-10(16-5-4-7-19-8-6-15-9-19)11-12(20)17(2)14(22)18(3)13(11)21/h6,8-9,20H,4-5,7H2,1-3H3/b16-10+
InChIKeyRIBBYGVIASFYHU-MHWRWJLKSA-N
MW305.34 g/mol
LogP-0.11
Rot. Bonds5

About 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 663317) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID663317
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC/C(=N\CCCn1ccnc1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-10(16-5-4-7-19-8-6-15-9-19)11-12(20)17(2)14(22)18(3)13(11)21/h6,8-9,20H,4-5,7H2,1-3H3/b16-10+
InChIKeyRIBBYGVIASFYHU-MHWRWJLKSA-N
XLogP-0.11
TPSA94.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 663317) is 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione is C/C(=N\CCCn1ccnc1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RIBBYGVIASFYHU-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10(16-5-4-7-19-8-6-15-9-19)11-12(20)17(2)14(22)18(3)13(11)21/h6,8-9,20H,4-5,7H2,1-3H3/b16-10+.
What are the key properties of 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 305.34 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[N-(3-imidazol-1-ylpropyl)-C-methylcarbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 663317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).