6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione

C19H32N2O4 — CID 4259568

IUPAC6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCC(=O)c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(22)16-17(23)20-19(25)21(2)18(16)24/h24H,3-14H2,1-2H3,(H,20,23,25)
InChIKeyBMEXQCJUKXZUGX-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.66
Rot. Bonds13

About 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione

6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione (PubChem CID 4259568) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione
PubChem CID4259568
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione
SMILESCCCCCCCCCCCCCC(=O)c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(22)16-17(23)20-19(25)21(2)18(16)24/h24H,3-14H2,1-2H3,(H,20,23,25)
InChIKeyBMEXQCJUKXZUGX-UHFFFAOYSA-N
XLogP3.66
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione (CID 4259568) is 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione is CCCCCCCCCCCCCC(=O)c1c(O)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione?
The InChIKey is BMEXQCJUKXZUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(22)16-17(23)20-19(25)21(2)18(16)24/h24H,3-14H2,1-2H3,(H,20,23,25).
What are the key properties of 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione?
6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione has a molecular weight of 352.48 g/mol, XLogP of 3.66, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4-dione is sourced from PubChem (CID 4259568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).