6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one

C21H32N2O4 — CID 3007809

IUPAC6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
SMILESCCCCCCCCCCc1cc2cn([C@H]3CC[C@@H](CO)O3)c(=O)nc2o1
InChIInChI=1S/C21H32N2O4/c1-2-3-4-5-6-7-8-9-10-17-13-16-14-23(21(25)22-20(16)27-17)19-12-11-18(15-24)26-19/h13-14,18-19,24H,2-12,15H2,1H3/t18-,19+/m0/s1
InChIKeyPCHKZDPUDNZFHP-RBUKOAKNSA-N
MW376.50 g/mol
LogP4.34
Rot. Bonds11

About 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one

6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one (PubChem CID 3007809) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
PubChem CID3007809
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
SMILESCCCCCCCCCCc1cc2cn([C@H]3CC[C@@H](CO)O3)c(=O)nc2o1
InChIInChI=1S/C21H32N2O4/c1-2-3-4-5-6-7-8-9-10-17-13-16-14-23(21(25)22-20(16)27-17)19-12-11-18(15-24)26-19/h13-14,18-19,24H,2-12,15H2,1H3/t18-,19+/m0/s1
InChIKeyPCHKZDPUDNZFHP-RBUKOAKNSA-N
XLogP4.34
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[5-(hydroxymethyl)oxolan-2-yl]-6-tetradecylfuro[2,3-d]pyrimidin-2-one
CID 21020203
3-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-6-(9-propoxynonyl)furo[2,3-d]pyrimidin-2-one
CID 71202189
3-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octylfuro[2,3-d]pyrimidin-2-one
CID 101344548
6-(5-butoxypentyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 511678
[(2R,3S,5R)-5-(6-decyl-2-oxofuro[2,3-d]pyrimidin-3-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 10367528
3-[(2S,5R)-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-6-(9-pentoxynonyl)pyrrolo[2,3-d]pyrimidin-2-one
CID 71202110
3-(cyclohexylmethyl)-6-hexylfuro[2,3-d]pyrimidin-2-one
CID 142960188
6-hept-6-ynyl-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
CID 22211307
3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-pent-4-ynylfuro[2,3-d]pyrimidin-2-one
CID 22209740
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
3-[(4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-(4-pentylphenyl)furo[2,3-d]pyrimidin-2-one
CID 3011494
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975

Frequently Asked Questions

What is the IUPAC name of 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one (CID 3007809) is 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one is CCCCCCCCCCc1cc2cn([C@H]3CC[C@@H](CO)O3)c(=O)nc2o1.
What is the InChIKey of 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one?
The InChIKey is PCHKZDPUDNZFHP-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-2-3-4-5-6-7-8-9-10-17-13-16-14-23(21(25)22-20(16)27-17)19-12-11-18(15-24)26-19/h13-14,18-19,24H,2-12,15H2,1H3/t18-,19+/m0/s1.
What are the key properties of 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one?
6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one has a molecular weight of 376.50 g/mol, XLogP of 4.34, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 3007809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).