5-tridecan-7-yl-1H-pyrimidine-2,4-dione

C17H30N2O2 — CID 170289085

IUPAC5-tridecan-7-yl-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(CCCCCC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H30N2O2/c1-3-5-7-9-11-14(12-10-8-6-4-2)15-13-18-17(21)19-16(15)20/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyULJQDQTZYCUDSA-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.09
Rot. Bonds11

About 5-tridecan-7-yl-1H-pyrimidine-2,4-dione

5-tridecan-7-yl-1H-pyrimidine-2,4-dione (PubChem CID 170289085) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-tridecan-7-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-tridecan-7-yl-1H-pyrimidine-2,4-dione
PubChem CID170289085
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name5-tridecan-7-yl-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(CCCCCC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C17H30N2O2/c1-3-5-7-9-11-14(12-10-8-6-4-2)15-13-18-17(21)19-16(15)20/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyULJQDQTZYCUDSA-UHFFFAOYSA-N
XLogP4.09
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.09
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-undecan-5-yl-1H-pyrimidine-2,4-dione
CID 167307336
5-(1-hydroxyhexyl)-2,3-dimethyl-1H-pyridin-4-one
CID 159429240
5-(octoxymethyl)-1H-pyrimidine-2,4-dione
CID 15334165
5-dodecan-5-yl-1H-pyridin-2-one
CID 155069588
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
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
5-[1,2-dihydroxy-3-(methylamino)propyl]-1H-pyrimidine-2,4-dione
CID 171857639
2-pentadecan-6-ylphenol
CID 66865451
(2S)-2-amino-N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]hexanamide
CID 125161861

Frequently Asked Questions

What is the IUPAC name of 5-tridecan-7-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-tridecan-7-yl-1H-pyrimidine-2,4-dione (CID 170289085) is 5-tridecan-7-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-tridecan-7-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-tridecan-7-yl-1H-pyrimidine-2,4-dione is CCCCCCC(CCCCCC)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-tridecan-7-yl-1H-pyrimidine-2,4-dione?
The InChIKey is ULJQDQTZYCUDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-5-7-9-11-14(12-10-8-6-4-2)15-13-18-17(21)19-16(15)20/h13-14H,3-12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 5-tridecan-7-yl-1H-pyrimidine-2,4-dione?
5-tridecan-7-yl-1H-pyrimidine-2,4-dione has a molecular weight of 294.44 g/mol, XLogP of 4.09, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tridecan-7-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170289085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).