5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione

C22H26N4O3 — CID 3547283

IUPAC5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
SMILESCCN(CC)CCC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C22H26N4O3/c1-3-25(4-2)14-8-13-23-15-18-20(27)24-22(29)26(21(18)28)19-12-7-10-16-9-5-6-11-17(16)19/h5-7,9-12,15,28H,3-4,8,13-14H2,1-2H3,(H,24,27,29)/b23-15+
InChIKeyGRKHINONRYZSNL-HZHRSRAPSA-N
MW394.48 g/mol
LogP2.54
Rot. Bonds8

About 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione

5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione (PubChem CID 3547283) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
PubChem CID3547283
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione
SMILESCCN(CC)CCC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O
InChIInChI=1S/C22H26N4O3/c1-3-25(4-2)14-8-13-23-15-18-20(27)24-22(29)26(21(18)28)19-12-7-10-16-9-5-6-11-17(16)19/h5-7,9-12,15,28H,3-4,8,13-14H2,1-2H3,(H,24,27,29)/b23-15+
InChIKeyGRKHINONRYZSNL-HZHRSRAPSA-N
XLogP2.54
TPSA90.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The IUPAC name of 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione (CID 3547283) is 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione is CCN(CC)CCC/N=C/c1c(O)n(-c2cccc3ccccc23)c(=O)[nH]c1=O.
What is the InChIKey of 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
The InChIKey is GRKHINONRYZSNL-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-3-25(4-2)14-8-13-23-15-18-20(27)24-22(29)26(21(18)28)19-12-7-10-16-9-5-6-11-17(16)19/h5-7,9-12,15,28H,3-4,8,13-14H2,1-2H3,(H,24,27,29)/b23-15+.
What are the key properties of 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione?
5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione has a molecular weight of 394.48 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(diethylamino)propyliminomethyl]-6-hydroxy-1-naphthalen-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 3547283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).