6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione

C11H18N2O4 — CID 112601451

IUPAC6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
SMILESCCCOCCCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O4/c1-3-6-17-7-4-5-13-10(15)8(2)9(14)12-11(13)16/h15H,3-7H2,1-2H3,(H,12,14,16)
InChIKeyNLIJQJBQRQNTAZ-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.37
Rot. Bonds6

About 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione

6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione (PubChem CID 112601451) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
PubChem CID112601451
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
SMILESCCCOCCCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O4/c1-3-6-17-7-4-5-13-10(15)8(2)9(14)12-11(13)16/h15H,3-7H2,1-2H3,(H,12,14,16)
InChIKeyNLIJQJBQRQNTAZ-UHFFFAOYSA-N
XLogP0.37
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
1-[3-(diethylamino)propyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112598583
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599367
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
CID 112599925
6-amino-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 82943721
1-(3-butoxypropyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 91056744
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-[2-(4-chlorophenyl)ethyl]-6-hydroxy-5-methylpyrimidine-2,4-dione
CID 112600003
3-[2-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601609
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione (CID 112601451) is 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione is CCCOCCCn1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione?
The InChIKey is NLIJQJBQRQNTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-6-17-7-4-5-13-10(15)8(2)9(14)12-11(13)16/h15H,3-7H2,1-2H3,(H,12,14,16).
What are the key properties of 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione has a molecular weight of 242.27 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112601451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).