2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol

C20H20F2N2O2 — CID 15405319

IUPAC2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol
SMILESCCCCCCOc1cnc(-c2ccc3c(O)c(F)c(F)cc3c2)nc1
InChIInChI=1S/C20H20F2N2O2/c1-2-3-4-5-8-26-15-11-23-20(24-12-15)13-6-7-16-14(9-13)10-17(21)18(22)19(16)25/h6-7,9-12,25H,2-5,8H2,1H3
InChIKeyRSEPPEQSCCQXRB-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.24
Rot. Bonds7

About 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol

2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol (PubChem CID 15405319) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol
PubChem CID15405319
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol
SMILESCCCCCCOc1cnc(-c2ccc3c(O)c(F)c(F)cc3c2)nc1
InChIInChI=1S/C20H20F2N2O2/c1-2-3-4-5-8-26-15-11-23-20(24-12-15)13-6-7-16-14(9-13)10-17(21)18(22)19(16)25/h6-7,9-12,25H,2-5,8H2,1H3
InChIKeyRSEPPEQSCCQXRB-UHFFFAOYSA-N
XLogP5.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol?
The IUPAC name of 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol (CID 15405319) is 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol.
What is the SMILES notation for 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol?
The canonical SMILES for 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol is CCCCCCOc1cnc(-c2ccc3c(O)c(F)c(F)cc3c2)nc1.
What is the InChIKey of 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol?
The InChIKey is RSEPPEQSCCQXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-2-3-4-5-8-26-15-11-23-20(24-12-15)13-6-7-16-14(9-13)10-17(21)18(22)19(16)25/h6-7,9-12,25H,2-5,8H2,1H3.
What are the key properties of 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol?
2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol has a molecular weight of 358.39 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-(5-hexoxypyrimidin-2-yl)naphthalen-1-ol is sourced from PubChem (CID 15405319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).