5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione

C16H28N2O2 — CID 146175163

IUPAC5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione
SMILESCCCCCC(C)(CCCCC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H28N2O2/c1-4-6-8-10-16(3,11-9-7-5-2)13-12-17-15(20)18-14(13)19/h12H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyWBPRTCFMNGLVTJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.48
Rot. Bonds9

About 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione

5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione (PubChem CID 146175163) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione
PubChem CID146175163
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione
SMILESCCCCCC(C)(CCCCC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C16H28N2O2/c1-4-6-8-10-16(3,11-9-7-5-2)13-12-17-15(20)18-14(13)19/h12H,4-11H2,1-3H3,(H2,17,18,19,20)
InChIKeyWBPRTCFMNGLVTJ-UHFFFAOYSA-N
XLogP3.48
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione (CID 146175163) is 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione is CCCCCC(C)(CCCCC)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is WBPRTCFMNGLVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-6-8-10-16(3,11-9-7-5-2)13-12-17-15(20)18-14(13)19/h12H,4-11H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione?
5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 280.41 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylundecan-6-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 146175163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).