5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine

C10H15N3O — CID 21309645

IUPAC5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
SMILESCN1CCC[C@H]1COc1cncnc1
InChIInChI=1S/C10H15N3O/c1-13-4-2-3-9(13)7-14-10-5-11-8-12-6-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyYNDCHCKPYHFVAW-VIFPVBQESA-N
MW193.25 g/mol
LogP0.95
Rot. Bonds3

About 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine

5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine (PubChem CID 21309645) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
PubChem CID21309645
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine
SMILESCN1CCC[C@H]1COc1cncnc1
InChIInChI=1S/C10H15N3O/c1-13-4-2-3-9(13)7-14-10-5-11-8-12-6-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1
InChIKeyYNDCHCKPYHFVAW-VIFPVBQESA-N
XLogP0.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-((S)-1-Methyl-azetidin-2-ylmethoxy)-pyrimidine
CID 44325671
5-[(1-Methylpyrrolidin-2-yl)methoxy]pyrimidine
CID 21851813
5-(1-Methyl-pyrrolidin-3-yloxy)-pyrimidine
CID 44325618
5-Ethoxypyrimidine
CID 19921688
5-Hexoxypyrimidine
CID 20092131
(6S)-12-chloro-4,4-difluoro-8-oxa-2,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 118246281
12-Chloro-4,4-difluoro-8-oxa-2,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 118246399
12-Chloro-5,5-difluoro-8-oxa-2,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 118246470
12-Chloro-4,4-difluoro-2-methyl-8-oxa-11,13-diaza-2-azoniatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 123818290
(6R)-12-chloro-4,4-difluoro-8-oxa-2,11,13-triazatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene
CID 126569317
5-[(2,2-Difluorocyclopropyl)methoxy]-2-pyrrolidin-1-ylpyrimidine
CID 132240347
1-[(2S,4R)-2-[(4-aminopyrimidin-5-yl)oxymethyl]-4-fluoropyrrolidin-1-yl]but-2-yn-1-one
CID 141446188

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine?
The IUPAC name of 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine (CID 21309645) is 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine?
The canonical SMILES for 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine is CN1CCC[C@H]1COc1cncnc1.
What is the InChIKey of 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine?
The InChIKey is YNDCHCKPYHFVAW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-4-2-3-9(13)7-14-10-5-11-8-12-6-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1.
What are the key properties of 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine?
5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine has a molecular weight of 193.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrimidine is sourced from PubChem (CID 21309645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).