5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione

C20H36N2O2 — CID 101407013

IUPAC5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione
SMILESCCCCCCn1c(CC)c(CC)c(=O)n(CCCCCC)c1=O
InChIInChI=1S/C20H36N2O2/c1-5-9-11-13-15-21-18(8-4)17(7-3)19(23)22(20(21)24)16-14-12-10-6-2/h5-16H2,1-4H3
InChIKeyDJOCLMDKQVFKNB-UHFFFAOYSA-N
MW336.52 g/mol
LogP4.30
Rot. Bonds12

About 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione

5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione (PubChem CID 101407013) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione
PubChem CID101407013
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC Name5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione
SMILESCCCCCCn1c(CC)c(CC)c(=O)n(CCCCCC)c1=O
InChIInChI=1S/C20H36N2O2/c1-5-9-11-13-15-21-18(8-4)17(7-3)19(23)22(20(21)24)16-14-12-10-6-2/h5-16H2,1-4H3
InChIKeyDJOCLMDKQVFKNB-UHFFFAOYSA-N
XLogP4.30
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione
CID 142656479
5,6-dibenzyl-1,3-dihexylpyrimidine-2,4-dione
CID 142656477
1,3-dihexyl-5-methyl-1,3,5-triazinane-2,4,6-trione
CID 140791594
methane;molecular iodine;1,3,5-triheptyl-1,3,5-triazinane-2,4,6-trione
CID 161402210
1-ethyl-3,5-diheptyl-1,3,5-triazinane-2,4,6-trione;methane
CID 160918747
3-dodecyl-4-hydroxy-1-methylimidazol-2-one
CID 91073512
6-benzyl-1,3-dihexyl-5-propan-2-ylpyrimidine-2,4-dione
CID 142656419
5-fluoro-1,3-dihexadecylpyrimidine-2,4-dione
CID 15579797
6-dodecyl-2-[2-(6-dodecyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 122674536
5-iodo-3-nonyl-1-propylpyrimidine-2,4-dione
CID 79781251
1-dodecyl-5-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 57170518
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione?
The IUPAC name of 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione (CID 101407013) is 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione?
The canonical SMILES for 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione is CCCCCCn1c(CC)c(CC)c(=O)n(CCCCCC)c1=O.
What is the InChIKey of 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione?
The InChIKey is DJOCLMDKQVFKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-5-9-11-13-15-21-18(8-4)17(7-3)19(23)22(20(21)24)16-14-12-10-6-2/h5-16H2,1-4H3.
What are the key properties of 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione?
5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione has a molecular weight of 336.52 g/mol, XLogP of 4.30, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1,3-dihexylpyrimidine-2,4-dione is sourced from PubChem (CID 101407013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).