5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione

C12H20N2O2 — CID 59434697

IUPAC5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione
SMILESCc1cn(CCCCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-9(2)6-4-5-7-14-8-10(3)11(15)13-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15,16)
InChIKeyLIJNMHFREPONAO-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.67
Rot. Bonds5

About 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione

5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione (PubChem CID 59434697) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione
PubChem CID59434697
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione
SMILESCc1cn(CCCCC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-9(2)6-4-5-7-14-8-10(3)11(15)13-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15,16)
InChIKeyLIJNMHFREPONAO-UHFFFAOYSA-N
XLogP1.67
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.67
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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Related Compounds

1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
5-fluoro-N-hexyl-3-(2-methylpropanoyl)-2,4-dioxopyrimidine-1-carboxamide
CID 71655039
5-trifluoromethyl-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71720653
5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
N-hexyl-5-methyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71716387
2,4(1H,3H)-Pyrimidinedione, 1-cyclopentyl-5-methyl-
CID 11557449
1-Cyclohexylthymine
CID 96032
1-Ethylthymine
CID 5246756
i-Hexylcarbamoyl-5-fluorouracil
CID 68650562
1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 581039
1-Propylthymine
CID 10702254
1-Isobutyl-5-methylpyrimidine-2,4(1h,3h)-dione
CID 240106

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione (CID 59434697) is 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione is Cc1cn(CCCCC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione?
The InChIKey is LIJNMHFREPONAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)6-4-5-7-14-8-10(3)11(15)13-12(14)16/h8-9H,4-7H2,1-3H3,(H,13,15,16).
What are the key properties of 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione?
5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-methylhexyl)pyrimidine-2,4-dione is sourced from PubChem (CID 59434697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).