6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione

C9H14N2O4 — CID 112599165

IUPAC6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCOCCCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-6-7(12)10-9(14)11(8(6)13)4-3-5-15-2/h13H,3-5H2,1-2H3,(H,10,12,14)
InChIKeyFAYMLSBVORWKFC-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.41
Rot. Bonds4

About 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione

6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione (PubChem CID 112599165) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
PubChem CID112599165
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
SMILESCOCCCn1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O4/c1-6-7(12)10-9(14)11(8(6)13)4-3-5-15-2/h13H,3-5H2,1-2H3,(H,10,12,14)
InChIKeyFAYMLSBVORWKFC-UHFFFAOYSA-N
XLogP-0.41
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.41
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-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
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
6-hydroxy-1-(3-methoxypropyl)-4,5-dimethylpyridin-2-one
CID 23338585
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665
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
3-(6-hydroxy-5-methyl-2,4-dioxopyrimidin-1-yl)-N-propylpropanamide
CID 112599925
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
3-(3-methoxypropyl)-7-methyl-2,6-dioxopurine-8-carboxylic acid
CID 82464324

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione (CID 112599165) is 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione is COCCCn1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is FAYMLSBVORWKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6-7(12)10-9(14)11(8(6)13)4-3-5-15-2/h13H,3-5H2,1-2H3,(H,10,12,14).
What are the key properties of 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione?
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 214.22 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112599165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).