6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione

C12H15N5O3 — CID 2718153

IUPAC6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/CCc2cnc[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C12H15N5O3/c1-16-10(18)9(11(19)17(2)12(16)20)6-13-4-3-8-5-14-7-15-8/h5-7,18H,3-4H2,1-2H3,(H,14,15)/b13-6+
InChIKeyMRYNCZJAJCCPDK-AWNIVKPZSA-N
MW277.28 g/mol
LogP-0.83
Rot. Bonds4

About 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione

6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2718153) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2718153
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(O)c(/C=N/CCc2cnc[nH]2)c(=O)n(C)c1=O
InChIInChI=1S/C12H15N5O3/c1-16-10(18)9(11(19)17(2)12(16)20)6-13-4-3-8-5-14-7-15-8/h5-7,18H,3-4H2,1-2H3,(H,14,15)/b13-6+
InChIKeyMRYNCZJAJCCPDK-AWNIVKPZSA-N
XLogP-0.83
TPSA105.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2718153) is 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(O)c(/C=N/CCc2cnc[nH]2)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is MRYNCZJAJCCPDK-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-16-10(18)9(11(19)17(2)12(16)20)6-13-4-3-8-5-14-7-15-8/h5-7,18H,3-4H2,1-2H3,(H,14,15)/b13-6+.
What are the key properties of 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 277.28 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-[2-(1H-imidazol-5-yl)ethyliminomethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2718153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).