1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol

C15H16FN3O2 — CID 50953364

IUPAC1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCOc1ccc(F)c(-c2nccc(N3CCC(O)C3)n2)c1
InChIInChI=1S/C15H16FN3O2/c1-21-11-2-3-13(16)12(8-11)15-17-6-4-14(18-15)19-7-5-10(20)9-19/h2-4,6,8,10,20H,5,7,9H2,1H3
InChIKeyNQIKPUKPUHRYAP-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50953364) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50953364
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCOc1ccc(F)c(-c2nccc(N3CCC(O)C3)n2)c1
InChIInChI=1S/C15H16FN3O2/c1-21-11-2-3-13(16)12(8-11)15-17-6-4-14(18-15)19-7-5-10(20)9-19/h2-4,6,8,10,20H,5,7,9H2,1H3
InChIKeyNQIKPUKPUHRYAP-UHFFFAOYSA-N
XLogP1.86
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 95122048
1-[2-(2-butoxy-4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 74250510
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689
1-[2-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]piperidin-4-ol
CID 74251022
1-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74234331
1-(2-fluoro-5-methoxyphenyl)piperidin-4-ol
CID 70198128
(3R)-1-[2-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperidin-3-ol
CID 99930102
(3S)-1-[2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]piperidin-3-ol
CID 95205893
1-[2-[4-(hydroxymethyl)phenyl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 74239468
1-(2-quinolin-3-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 74243840
1-[2-(3,5-dimethylpyrazolidin-4-yl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 133108076
(3S)-1-(5-bromo-4-methoxy-2-pyridinyl)pyrrolidin-3-ol
CID 168941013

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol (CID 50953364) is 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol is COc1ccc(F)c(-c2nccc(N3CCC(O)C3)n2)c1.
What is the InChIKey of 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is NQIKPUKPUHRYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-21-11-2-3-13(16)12(8-11)15-17-6-4-14(18-15)19-7-5-10(20)9-19/h2-4,6,8,10,20H,5,7,9H2,1H3.
What are the key properties of 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 289.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-5-methoxyphenyl)pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50953364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).