6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one

C19H30N2O3 — CID 11638567

IUPAC6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one
SMILESCCCCCCCCn1cc2cc(COCCCC)oc2nc1=O
InChIInChI=1S/C19H30N2O3/c1-3-5-7-8-9-10-11-21-14-16-13-17(15-23-12-6-4-2)24-18(16)20-19(21)22/h13-14H,3-12,15H2,1-2H3
InChIKeyUAWPZEPFXDBQNO-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.67
Rot. Bonds12

About 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one

6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one (PubChem CID 11638567) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one
PubChem CID11638567
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one
SMILESCCCCCCCCn1cc2cc(COCCCC)oc2nc1=O
InChIInChI=1S/C19H30N2O3/c1-3-5-7-8-9-10-11-21-14-16-13-17(15-23-12-6-4-2)24-18(16)20-19(21)22/h13-14H,3-12,15H2,1-2H3
InChIKeyUAWPZEPFXDBQNO-UHFFFAOYSA-N
XLogP4.67
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-6-(octoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 11704434
6-(hexoxymethyl)-3-hexylfuro[2,3-d]pyrimidin-2-one
CID 11595187
CID 11732773
CID 11732773
6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 71474987
3-(2-hydroxyethoxymethyl)-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
CID 5274245
6-(5-butoxypentyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 511678
6-hept-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
CID 6482297
3-methyl-5-(octoxymethyl)-1,2-oxazole
CID 13460560
3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one
CID 21020203
2-methyl-5-(octoxymethyl)furan
CID 21314380
3-methyl-5-(octoxymethyl)furan-2-carboxylic acid
CID 43620815
3-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octylfuro[2,3-d]pyrimidin-2-one
CID 101344548

Frequently Asked Questions

What is the IUPAC name of 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one (CID 11638567) is 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one is CCCCCCCCn1cc2cc(COCCCC)oc2nc1=O.
What is the InChIKey of 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one?
The InChIKey is UAWPZEPFXDBQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-5-7-8-9-10-11-21-14-16-13-17(15-23-12-6-4-2)24-18(16)20-19(21)22/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one?
6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one has a molecular weight of 334.46 g/mol, XLogP of 4.67, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butoxymethyl)-3-octylfuro[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 11638567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).