5-undecan-5-yl-1H-pyrimidine-2,4-dione

C15H26N2O2 — CID 167307336

IUPAC5-undecan-5-yl-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(CCCC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H26N2O2/c1-3-5-7-8-10-12(9-6-4-2)13-11-16-15(19)17-14(13)18/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyWBYCXUNIKZFENL-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.31
Rot. Bonds9

About 5-undecan-5-yl-1H-pyrimidine-2,4-dione

5-undecan-5-yl-1H-pyrimidine-2,4-dione (PubChem CID 167307336) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-undecan-5-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-undecan-5-yl-1H-pyrimidine-2,4-dione
PubChem CID167307336
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-undecan-5-yl-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(CCCC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H26N2O2/c1-3-5-7-8-10-12(9-6-4-2)13-11-16-15(19)17-14(13)18/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19)
InChIKeyWBYCXUNIKZFENL-UHFFFAOYSA-N
XLogP3.31
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tridecan-7-yl-1H-pyrimidine-2,4-dione
CID 170289085
5-dodecan-5-yl-1H-pyridin-2-one
CID 155069588
5-(1-hydroxyhexyl)-2,3-dimethyl-1H-pyridin-4-one
CID 159429240
5-(octoxymethyl)-1H-pyrimidine-2,4-dione
CID 15334165
5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene
CID 118491878
6-nonan-3-yl-1H-pyrimidine-2,4-dione
CID 134171693
4-[1-(3-oxo-1,2-dihydropyrazol-4-yl)octyl]-1,2-dihydropyrazol-3-one
CID 14390067
(2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide
CID 125161861
formaldehyde;2-tridecan-5-ylphenol
CID 130205554
2-dodecan-4-yl-5-dodecan-5-ylbenzene-1,4-diol
CID 154127872
5-(5-hexylthiophen-2-yl)-1H-pyrimidine-2,4-dione
CID 171984184
5-heptadecan-2-yl-4-hydroxy-1H-pyridin-2-one;hydrochloride
CID 70391888

Frequently Asked Questions

What is the IUPAC name of 5-undecan-5-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-undecan-5-yl-1H-pyrimidine-2,4-dione (CID 167307336) is 5-undecan-5-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-undecan-5-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-undecan-5-yl-1H-pyrimidine-2,4-dione is CCCCCCC(CCCC)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-undecan-5-yl-1H-pyrimidine-2,4-dione?
The InChIKey is WBYCXUNIKZFENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-5-7-8-10-12(9-6-4-2)13-11-16-15(19)17-14(13)18/h11-12H,3-10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-undecan-5-yl-1H-pyrimidine-2,4-dione?
5-undecan-5-yl-1H-pyrimidine-2,4-dione has a molecular weight of 266.38 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-undecan-5-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 167307336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).