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

C16H19FN2O2 — CID 70978869

IUPAC3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol
SMILESOC1=C(O)N=C(c2ccc(F)cc2)N(C2CCCCC2)C1
InChIInChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-16(21)14(20)10-19(15)13-4-2-1-3-5-13/h6-9,13,20-21H,1-5,10H2
InChIKeyPQYWOJUINWJWFC-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.51
Rot. Bonds2

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

3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol (PubChem CID 70978869) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol.

Molecular Properties

Compound Name3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol
PubChem CID70978869
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol
SMILESOC1=C(O)N=C(c2ccc(F)cc2)N(C2CCCCC2)C1
InChIInChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-16(21)14(20)10-19(15)13-4-2-1-3-5-13/h6-9,13,20-21H,1-5,10H2
InChIKeyPQYWOJUINWJWFC-UHFFFAOYSA-N
XLogP3.51
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-benzyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
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3-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-5-ol
CID 11021114
2-(2,5-difluorophenyl)-3-hydroxy-4H-pyrimidin-5-ol
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3-cyclobutyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol
CID 70977890
3-Cyclohexyl-2-(4-fluorophenyl)-5-hydroxy-4,5-dihydropyrimidin-6-one
CID 123401378
4-Ethylidene-3-(4-fluorophenyl)pyrido[1,2-a]pyrimidin-9-ol
CID 173536312
1-[(2R)-5-(4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyridin-1-yl]-N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1-phenylmethanimine
CID 102028093
1-[(2R)-6-(4-fluorophenyl)-2-methyl-2H-pyridin-1-yl]-N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1-phenylmethanimine
CID 102139640
2-(2,4-Diphenyl-4,5-dihydroimidazol-1-yl)ethanol
CID 20551604
3-cyclohexyl-2-[(3-methylphenyl)methyl]-4H-pyrimidine-5,6-diol
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol?
The IUPAC name of 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol (CID 70978869) is 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol.
What is the SMILES notation for 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol?
The canonical SMILES for 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol is OC1=C(O)N=C(c2ccc(F)cc2)N(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol?
The InChIKey is PQYWOJUINWJWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-12-8-6-11(7-9-12)15-18-16(21)14(20)10-19(15)13-4-2-1-3-5-13/h6-9,13,20-21H,1-5,10H2.
What are the key properties of 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol?
3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol has a molecular weight of 290.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(4-fluorophenyl)-4H-pyrimidine-5,6-diol is sourced from PubChem (CID 70978869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).