3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol

C14H15FN2O2 — CID 70977890

IUPAC3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol
SMILESOC1=C(O)N=C(c2ccc(F)cc2)N(C2CCC2)C1
InChIInChI=1S/C14H15FN2O2/c15-10-6-4-9(5-7-10)13-16-14(19)12(18)8-17(13)11-2-1-3-11/h4-7,11,18-19H,1-3,8H2
InChIKeyXKFBZVCNKIXFMO-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.73
Rot. Bonds2

About 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol

3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol (PubChem CID 70977890) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol.

Molecular Properties

Compound Name3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol
PubChem CID70977890
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol
SMILESOC1=C(O)N=C(c2ccc(F)cc2)N(C2CCC2)C1
InChIInChI=1S/C14H15FN2O2/c15-10-6-4-9(5-7-10)13-16-14(19)12(18)8-17(13)11-2-1-3-11/h4-7,11,18-19H,1-3,8H2
InChIKeyXKFBZVCNKIXFMO-UHFFFAOYSA-N
XLogP2.73
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol?
The IUPAC name of 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol (CID 70977890) is 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol.
What is the SMILES notation for 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol?
The canonical SMILES for 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol is OC1=C(O)N=C(c2ccc(F)cc2)N(C2CCC2)C1.
What is the InChIKey of 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol?
The InChIKey is XKFBZVCNKIXFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-10-6-4-9(5-7-10)13-16-14(19)12(18)8-17(13)11-2-1-3-11/h4-7,11,18-19H,1-3,8H2.
What are the key properties of 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol?
3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol has a molecular weight of 262.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol is sourced from PubChem (CID 70977890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).