[5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol

C17H20FN3O — CID 50982638

IUPAC[5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol
SMILESCc1nc(N2CCCC2)nc(-c2ccc(F)c(CO)c2)c1C
InChIInChI=1S/C17H20FN3O/c1-11-12(2)19-17(21-7-3-4-8-21)20-16(11)13-5-6-15(18)14(9-13)10-22/h5-6,9,22H,3-4,7-8,10H2,1-2H3
InChIKeyJFMIAKQQFHHXQD-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.99
Rot. Bonds3

About [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol

[5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol (PubChem CID 50982638) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol
PubChem CID50982638
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name[5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol
SMILESCc1nc(N2CCCC2)nc(-c2ccc(F)c(CO)c2)c1C
InChIInChI=1S/C17H20FN3O/c1-11-12(2)19-17(21-7-3-4-8-21)20-16(11)13-5-6-15(18)14(9-13)10-22/h5-6,9,22H,3-4,7-8,10H2,1-2H3
InChIKeyJFMIAKQQFHHXQD-UHFFFAOYSA-N
XLogP2.99
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol?
The IUPAC name of [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol (CID 50982638) is [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol.
What is the SMILES notation for [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol?
The canonical SMILES for [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol is Cc1nc(N2CCCC2)nc(-c2ccc(F)c(CO)c2)c1C.
What is the InChIKey of [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol?
The InChIKey is JFMIAKQQFHHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11-12(2)19-17(21-7-3-4-8-21)20-16(11)13-5-6-15(18)14(9-13)10-22/h5-6,9,22H,3-4,7-8,10H2,1-2H3.
What are the key properties of [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol?
[5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol has a molecular weight of 301.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-fluorophenyl]methanol is sourced from PubChem (CID 50982638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).