decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate

C15H24N2O4 — CID 14407298

IUPACdecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C15H24N2O4/c1-2-3-4-5-6-7-8-9-10-21-14(19)12-11-13(18)17-15(20)16-12/h11H,2-10H2,1H3,(H2,16,17,18,20)
InChIKeyQUUFLQJQTDISQC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.36
Rot. Bonds10

About decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate

decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 14407298) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namedecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID14407298
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Namedecyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C15H24N2O4/c1-2-3-4-5-6-7-8-9-10-21-14(19)12-11-13(18)17-15(20)16-12/h11H,2-10H2,1H3,(H2,16,17,18,20)
InChIKeyQUUFLQJQTDISQC-UHFFFAOYSA-N
XLogP2.36
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Orotic acid butyl ester
CID 73015
Hexyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 70521246
Ethyl orotate
CID 549450
Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
CID 3086279
Hexyl 5-amino-2,6-dihydroxy-4-pyrimidinecarboxylate
CID 387520
Hexadecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
CID 216233
heptyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 14407296
1,2,3,6-Tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid propyl ester
CID 23273875
Pentyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 23274331
3-Methylbutyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 23274332
Dodecyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
CID 3024315
Propan-2-yl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 12488964

Frequently Asked Questions

What is the IUPAC name of decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 14407298) is decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate is CCCCCCCCCCOC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is QUUFLQJQTDISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-2-3-4-5-6-7-8-9-10-21-14(19)12-11-13(18)17-15(20)16-12/h11H,2-10H2,1H3,(H2,16,17,18,20).
What are the key properties of decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate?
decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 14407298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).