5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine

C14H16N4O — CID 22961876

IUPAC5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
SMILESc1ncc(-c2cncc(OC[C@@H]3CCCN3)c2)cn1
InChIInChI=1S/C14H16N4O/c1-2-13(18-3-1)9-19-14-4-11(5-15-8-14)12-6-16-10-17-7-12/h4-8,10,13,18H,1-3,9H2/t13-/m0/s1
InChIKeyMFUIUNQOIMOCKR-ZDUSSCGKSA-N
MW256.31 g/mol
LogP1.67
Rot. Bonds4

About 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine

5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine (PubChem CID 22961876) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
PubChem CID22961876
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
SMILESc1ncc(-c2cncc(OC[C@@H]3CCCN3)c2)cn1
InChIInChI=1S/C14H16N4O/c1-2-13(18-3-1)9-19-14-4-11(5-15-8-14)12-6-16-10-17-7-12/h4-8,10,13,18H,1-3,9H2/t13-/m0/s1
InChIKeyMFUIUNQOIMOCKR-ZDUSSCGKSA-N
XLogP1.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
3-fluoro-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 57064323
3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
benzene;3-pyrrolidin-1-yl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 143977024
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
(5S)-3-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 143976866
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine;dihydrochloride
CID 138393569
5-[2-[(2R)-pyrrolidin-2-yl]ethoxy]pyrimidine
CID 97057121
3-ethyl-2-fluoro-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 54384732
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719

Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine?
The IUPAC name of 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine (CID 22961876) is 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine.
What is the SMILES notation for 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine?
The canonical SMILES for 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine is c1ncc(-c2cncc(OC[C@@H]3CCCN3)c2)cn1.
What is the InChIKey of 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine?
The InChIKey is MFUIUNQOIMOCKR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-13(18-3-1)9-19-14-4-11(5-15-8-14)12-6-16-10-17-7-12/h4-8,10,13,18H,1-3,9H2/t13-/m0/s1.
What are the key properties of 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine?
5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine has a molecular weight of 256.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine is sourced from PubChem (CID 22961876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).