2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol

C15H17N3O2 — CID 117231420

IUPAC2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol
SMILESOc1ccccc1Oc1cnc(CC2CCNC2)nc1
InChIInChI=1S/C15H17N3O2/c19-13-3-1-2-4-14(13)20-12-9-17-15(18-10-12)7-11-5-6-16-8-11/h1-4,9-11,16,19H,5-8H2
InChIKeyQXDNFWGWYSHLMB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol

2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol (PubChem CID 117231420) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol.

Molecular Properties

Compound Name2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol
PubChem CID117231420
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol
SMILESOc1ccccc1Oc1cnc(CC2CCNC2)nc1
InChIInChI=1S/C15H17N3O2/c19-13-3-1-2-4-14(13)20-12-9-17-15(18-10-12)7-11-5-6-16-8-11/h1-4,9-11,16,19H,5-8H2
InChIKeyQXDNFWGWYSHLMB-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(pyrrolidin-3-ylmethyl)pyrimidine;hydrochloride
CID 139490791
2-(pyrrolidin-3-ylmethyl)phenol
CID 82599560
5-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 146288202
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
2-(azetidin-3-ylmethyl)-5-phenylmethoxypyrimidine
CID 117231356
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
6-fluoro-2-(pyrrolidin-3-ylmethyl)quinazoline
CID 105489460
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 117231908
2-(azetidin-3-ylmethyl)-5-ethoxypyrimidine
CID 117231622

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol?
The IUPAC name of 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol (CID 117231420) is 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol.
What is the SMILES notation for 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol?
The canonical SMILES for 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol is Oc1ccccc1Oc1cnc(CC2CCNC2)nc1.
What is the InChIKey of 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol?
The InChIKey is QXDNFWGWYSHLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-13-3-1-2-4-14(13)20-12-9-17-15(18-10-12)7-11-5-6-16-8-11/h1-4,9-11,16,19H,5-8H2.
What are the key properties of 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol?
2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol has a molecular weight of 271.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidin-3-ylmethyl)pyrimidin-5-yl]oxyphenol is sourced from PubChem (CID 117231420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).