1-hexyl-5-methylpyrimidine-2,4-dione

C11H18N2O2 — CID 23274062

IUPAC1-hexyl-5-methylpyrimidine-2,4-dione
SMILESCCCCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-3-4-5-6-7-13-8-9(2)10(14)12-11(13)15/h8H,3-7H2,1-2H3,(H,12,14,15)
InChIKeyITGOOCHIQVRCBG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.43
Rot. Bonds5

About 1-hexyl-5-methylpyrimidine-2,4-dione

1-hexyl-5-methylpyrimidine-2,4-dione (PubChem CID 23274062) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-hexyl-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-hexyl-5-methylpyrimidine-2,4-dione
PubChem CID23274062
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-hexyl-5-methylpyrimidine-2,4-dione
SMILESCCCCCCn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-3-4-5-6-7-13-8-9(2)10(14)12-11(13)15/h8H,3-7H2,1-2H3,(H,12,14,15)
InChIKeyITGOOCHIQVRCBG-UHFFFAOYSA-N
XLogP1.43
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.43
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 1-hexyl-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-hexyl-5-methylpyrimidine-2,4-dione (CID 23274062) is 1-hexyl-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-hexyl-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-hexyl-5-methylpyrimidine-2,4-dione is CCCCCCn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-hexyl-5-methylpyrimidine-2,4-dione?
The InChIKey is ITGOOCHIQVRCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-4-5-6-7-13-8-9(2)10(14)12-11(13)15/h8H,3-7H2,1-2H3,(H,12,14,15).
What are the key properties of 1-hexyl-5-methylpyrimidine-2,4-dione?
1-hexyl-5-methylpyrimidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 23274062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).