6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione

C16H19N3O4 — CID 2015027

IUPAC6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione
SMILESCc1ccccc1OCC/N=C/c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O4/c1-11-6-4-5-7-13(11)23-9-8-17-10-12-14(20)18(2)16(22)19(3)15(12)21/h4-7,10,20H,8-9H2,1-3H3/b17-10+
InChIKeyJWEAVYBEPBBZQB-LICLKQGHSA-N
MW317.35 g/mol
LogP0.60
Rot. Bonds5

About 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione

6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione (PubChem CID 2015027) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione
PubChem CID2015027
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione
SMILESCc1ccccc1OCC/N=C/c1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C16H19N3O4/c1-11-6-4-5-7-13(11)23-9-8-17-10-12-14(20)18(2)16(22)19(3)15(12)21/h4-7,10,20H,8-9H2,1-3H3/b17-10+
InChIKeyJWEAVYBEPBBZQB-LICLKQGHSA-N
XLogP0.60
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione (CID 2015027) is 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione is Cc1ccccc1OCC/N=C/c1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione?
The InChIKey is JWEAVYBEPBBZQB-LICLKQGHSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-11-6-4-5-7-13(11)23-9-8-17-10-12-14(20)18(2)16(22)19(3)15(12)21/h4-7,10,20H,8-9H2,1-3H3/b17-10+.
What are the key properties of 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione?
6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione has a molecular weight of 317.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3-dimethyl-5-[2-(2-methylphenoxy)ethyliminomethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2015027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).