5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

C19H26N4O3 — CID 3781852

IUPAC5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCCN(CC)CC/N=C/c1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O3/c1-3-22(4-2)13-11-20-14-16-17(24)21-19(26)23(18(16)25)12-10-15-8-6-5-7-9-15/h5-9,14,25H,3-4,10-13H2,1-2H3,(H,21,24,26)/b20-14+
InChIKeyKQEMDHNXBQAMHG-XSFVSMFZSA-N
MW358.44 g/mol
LogP1.25
Rot. Bonds9

About 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione

5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 3781852) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID3781852
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESCCN(CC)CC/N=C/c1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O3/c1-3-22(4-2)13-11-20-14-16-17(24)21-19(26)23(18(16)25)12-10-15-8-6-5-7-9-15/h5-9,14,25H,3-4,10-13H2,1-2H3,(H,21,24,26)/b20-14+
InChIKeyKQEMDHNXBQAMHG-XSFVSMFZSA-N
XLogP1.25
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
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-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 3781852) is 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is CCN(CC)CC/N=C/c1c(O)n(CCc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is KQEMDHNXBQAMHG-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-22(4-2)13-11-20-14-16-17(24)21-19(26)23(18(16)25)12-10-15-8-6-5-7-9-15/h5-9,14,25H,3-4,10-13H2,1-2H3,(H,21,24,26)/b20-14+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione?
5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 358.44 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-6-hydroxy-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3781852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).