5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C14H19N5O3 — CID 4979892

IUPAC5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\CCc1cnc[nH]1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-4-10(16-6-5-9-7-15-8-17-9)11-12(20)18(2)14(22)19(3)13(11)21/h7-8,20H,4-6H2,1-3H3,(H,15,17)/b16-10+
InChIKeyRICZPGYZLQNRHQ-MHWRWJLKSA-N
MW305.34 g/mol
LogP-0.05
Rot. Bonds5

About 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 4979892) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID4979892
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCC/C(=N\CCc1cnc[nH]1)c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C14H19N5O3/c1-4-10(16-6-5-9-7-15-8-17-9)11-12(20)18(2)14(22)19(3)13(11)21/h7-8,20H,4-6H2,1-3H3,(H,15,17)/b16-10+
InChIKeyRICZPGYZLQNRHQ-MHWRWJLKSA-N
XLogP-0.05
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2718153
1,3-dimethyl-7H-purine-2,6-dione;2-(1H-imidazol-5-yl)ethanamine;osmium;hydrate
CID 173170169
N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
CID 65236768
N-[4-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]phenyl]acetamide
CID 1399913
1-amino-3-ethyl-2-[2-(1H-imidazol-5-yl)ethyl]guanidine
CID 104886521
4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54479343
1-(4-bromophenyl)-5-[C-(4-fluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135574582
4-[2-[1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)propylideneamino]anilino]-4-oxobutanoic acid
CID 3841137
5-hexyl-1H-imidazole
CID 14225142
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337
2-(1H-imidazol-5-yl)ethanol;molecular hydrogen
CID 168881125

Frequently Asked Questions

What is the IUPAC name of 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 4979892) is 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CC/C(=N\CCc1cnc[nH]1)c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is RICZPGYZLQNRHQ-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-10(16-6-5-9-7-15-8-17-9)11-12(20)18(2)14(22)19(3)13(11)21/h7-8,20H,4-6H2,1-3H3,(H,15,17)/b16-10+.
What are the key properties of 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 305.34 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-[2-(1H-imidazol-5-yl)ethyl]carbonimidoyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4979892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).