4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol

C15H17N3O2 — CID 136998970

IUPAC4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2ncc(OCC3CCCN3)cn2)cc1
InChIInChI=1S/C15H17N3O2/c19-13-5-3-11(4-6-13)15-17-8-14(9-18-15)20-10-12-2-1-7-16-12/h3-6,8-9,12,16,19H,1-2,7,10H2
InChIKeyKTOQVPXFLHZFIU-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.98
Rot. Bonds4

About 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol

4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol (PubChem CID 136998970) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
PubChem CID136998970
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
SMILESOc1ccc(-c2ncc(OCC3CCCN3)cn2)cc1
InChIInChI=1S/C15H17N3O2/c19-13-5-3-11(4-6-13)15-17-8-14(9-18-15)20-10-12-2-1-7-16-12/h3-6,8-9,12,16,19H,1-2,7,10H2
InChIKeyKTOQVPXFLHZFIU-UHFFFAOYSA-N
XLogP1.98
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol 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

4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998972
2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine
CID 117230889
4-(azetidin-2-ylmethoxy)phenol
CID 115070936
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 11197577
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-(4-hydroxyphenyl)-5-(2-pyrrolidin-2-ylethoxy)phenol
CID 173311390
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
5-(methoxymethyl)-1-methyl-3-[4-(pyrrolidin-2-ylmethoxy)phenyl]-1,2,4-triazole;hydrochloride
CID 163341217
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118

Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol?
The IUPAC name of 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol (CID 136998970) is 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol.
What is the SMILES notation for 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol?
The canonical SMILES for 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol is Oc1ccc(-c2ncc(OCC3CCCN3)cn2)cc1.
What is the InChIKey of 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol?
The InChIKey is KTOQVPXFLHZFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-13-5-3-11(4-6-13)15-17-8-14(9-18-15)20-10-12-2-1-7-16-12/h3-6,8-9,12,16,19H,1-2,7,10H2.
What are the key properties of 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol?
4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol has a molecular weight of 271.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol is sourced from PubChem (CID 136998970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).