5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione

C15H26N2O2 — CID 130471053

IUPAC5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(C)(CCC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H26N2O2/c1-4-6-7-8-10-15(3,9-5-2)12-11-16-14(19)17-13(12)18/h11H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyOHIINHRFZHVFPY-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.09
Rot. Bonds8

About 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione

5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 130471053) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID130471053
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(C)(CCC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H26N2O2/c1-4-6-7-8-10-15(3,9-5-2)12-11-16-14(19)17-13(12)18/h11H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyOHIINHRFZHVFPY-UHFFFAOYSA-N
XLogP3.09
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione (CID 130471053) is 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione is CCCCCCC(C)(CCC)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is OHIINHRFZHVFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-6-7-8-10-15(3,9-5-2)12-11-16-14(19)17-13(12)18/h11H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione?
5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 266.38 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyldecan-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 130471053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).