1-hexadecoxypyrimidine-2,4-dione

C20H36N2O3 — CID 177191726

IUPAC1-hexadecoxypyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCOn1ccc(=O)[nH]c1=O
InChIInChI=1S/C20H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-17-16-19(23)21-20(22)24/h16-17H,2-15,18H2,1H3,(H,21,23,24)
InChIKeyAECLKURYZLAVEO-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.45
Rot. Bonds16

About 1-hexadecoxypyrimidine-2,4-dione

1-hexadecoxypyrimidine-2,4-dione (PubChem CID 177191726) has the molecular formula C20H36N2O3 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-hexadecoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-hexadecoxypyrimidine-2,4-dione
PubChem CID177191726
Molecular FormulaC20H36N2O3
Molecular Weight352.52 g/mol
Exact Mass352.27
IUPAC Name1-hexadecoxypyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCOn1ccc(=O)[nH]c1=O
InChIInChI=1S/C20H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-17-16-19(23)21-20(22)24/h16-17H,2-15,18H2,1H3,(H,21,23,24)
InChIKeyAECLKURYZLAVEO-UHFFFAOYSA-N
XLogP4.45
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hexadecoxypyrimidine-2,4-dione?
The IUPAC name of 1-hexadecoxypyrimidine-2,4-dione (CID 177191726) is 1-hexadecoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-hexadecoxypyrimidine-2,4-dione?
The canonical SMILES for 1-hexadecoxypyrimidine-2,4-dione is CCCCCCCCCCCCCCCCOn1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-hexadecoxypyrimidine-2,4-dione?
The InChIKey is AECLKURYZLAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-22-17-16-19(23)21-20(22)24/h16-17H,2-15,18H2,1H3,(H,21,23,24).
What are the key properties of 1-hexadecoxypyrimidine-2,4-dione?
1-hexadecoxypyrimidine-2,4-dione has a molecular weight of 352.52 g/mol, XLogP of 4.45, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecoxypyrimidine-2,4-dione is sourced from PubChem (CID 177191726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).