4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol

C16H14FN3O2 — CID 91261264

IUPAC4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol
SMILESCn1cc(-c2ncc(Cc3ccc(F)cc3)cn2)c(O)c1O
InChIInChI=1S/C16H14FN3O2/c1-20-9-13(14(21)16(20)22)15-18-7-11(8-19-15)6-10-2-4-12(17)5-3-10/h2-5,7-9,21-22H,6H2,1H3
InChIKeyOJRSRVCQRINLHJ-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.62
Rot. Bonds3

About 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol

4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol (PubChem CID 91261264) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol.

Molecular Properties

Compound Name4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol
PubChem CID91261264
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol
SMILESCn1cc(-c2ncc(Cc3ccc(F)cc3)cn2)c(O)c1O
InChIInChI=1S/C16H14FN3O2/c1-20-9-13(14(21)16(20)22)15-18-7-11(8-19-15)6-10-2-4-12(17)5-3-10/h2-5,7-9,21-22H,6H2,1H3
InChIKeyOJRSRVCQRINLHJ-UHFFFAOYSA-N
XLogP2.62
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorophenyl)methyl]-1-methylimidazol-4-ol
CID 106952479
3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methyl-5-[methyl(methylsulfamoyl)amino]pyrrolo[3,4-g]quinoline
CID 91459586
azetidin-1-yl-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]methanone
CID 91048103
N-[2-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]propan-2-yl]acetamide
CID 135978972
[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-(5-hydroxy-4-methoxy-1-methylpyrrol-3-yl)methanone
CID 90847780
2-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]-1-(1-oxo-1,3-thiazolidin-3-yl)ethanone
CID 91525889
2-[3-[(4-fluorophenyl)methyl]-8,9-dihydroxy-7-methylpyrrolo[3,4-g]quinolin-5-yl]-N-(2H-tetrazol-5-yl)acetamide
CID 91251681
5,7-dibromo-3-[(4-fluorophenyl)methyl]quinolin-8-ol
CID 58763099
[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
CID 62757349
7-ethyl-5-(ethylamino)-3-[(4-fluorophenyl)methyl]pyrrolo[3,4-g]quinoline-8,9-diol
CID 91228426
4-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
CID 53403357
(4,5-dihydroxy-1-propan-2-ylpyrrol-3-yl)-[2-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl]methanone
CID 90905665

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol?
The IUPAC name of 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol (CID 91261264) is 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol.
What is the SMILES notation for 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol?
The canonical SMILES for 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol is Cn1cc(-c2ncc(Cc3ccc(F)cc3)cn2)c(O)c1O.
What is the InChIKey of 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol?
The InChIKey is OJRSRVCQRINLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-20-9-13(14(21)16(20)22)15-18-7-11(8-19-15)6-10-2-4-12(17)5-3-10/h2-5,7-9,21-22H,6H2,1H3.
What are the key properties of 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol?
4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol has a molecular weight of 299.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]-1-methylpyrrole-2,3-diol is sourced from PubChem (CID 91261264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).