5-dodecan-6-yl-1-methylpyrimidine-2,4-dione

C17H30N2O2 — CID 170289090

IUPAC5-dodecan-6-yl-1-methylpyrimidine-2,4-dione
SMILESCCCCCCC(CCCCC)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H30N2O2/c1-4-6-8-10-12-14(11-9-7-5-2)15-13-19(3)17(21)18-16(15)20/h13-14H,4-12H2,1-3H3,(H,18,20,21)
InChIKeyUBGHHGUZGDFQKE-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.71
Rot. Bonds10

About 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione

5-dodecan-6-yl-1-methylpyrimidine-2,4-dione (PubChem CID 170289090) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-dodecan-6-yl-1-methylpyrimidine-2,4-dione
PubChem CID170289090
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name5-dodecan-6-yl-1-methylpyrimidine-2,4-dione
SMILESCCCCCCC(CCCCC)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H30N2O2/c1-4-6-8-10-12-14(11-9-7-5-2)15-13-19(3)17(21)18-16(15)20/h13-14H,4-12H2,1-3H3,(H,18,20,21)
InChIKeyUBGHHGUZGDFQKE-UHFFFAOYSA-N
XLogP3.71
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dodecan-6-yl-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione (CID 170289090) is 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione is CCCCCCC(CCCCC)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione?
The InChIKey is UBGHHGUZGDFQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-6-8-10-12-14(11-9-7-5-2)15-13-19(3)17(21)18-16(15)20/h13-14H,4-12H2,1-3H3,(H,18,20,21).
What are the key properties of 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione?
5-dodecan-6-yl-1-methylpyrimidine-2,4-dione has a molecular weight of 294.44 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecan-6-yl-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 170289090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).