5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

C15H18N4O — CID 99950359

IUPAC5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
SMILESCO[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C1
InChIInChI=1S/C15H18N4O/c1-20-13-5-7-19(11-13)10-12-8-17-15(18-9-12)14-4-2-3-6-16-14/h2-4,6,8-9,13H,5,7,10-11H2,1H3/t13-/m1/s1
InChIKeyQOZCLHBMTWIPRL-CYBMUJFWSA-N
MW270.34 g/mol
LogP1.76
Rot. Bonds4

About 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine

5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine (PubChem CID 99950359) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
PubChem CID99950359
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
SMILESCO[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C1
InChIInChI=1S/C15H18N4O/c1-20-13-5-7-19(11-13)10-12-8-17-15(18-9-12)14-4-2-3-6-16-14/h2-4,6,8-9,13H,5,7,10-11H2,1H3/t13-/m1/s1
InChIKeyQOZCLHBMTWIPRL-CYBMUJFWSA-N
XLogP1.76
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-amino-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 70769986
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 56722948
2-[3-fluoro-5-[(4-methoxypiperidin-1-yl)methyl]phenyl]pyridine
CID 129244797
2-pyridin-2-yl-5-[[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 99930503
2-ethylsulfanyl-5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]pyrimidine
CID 99929176
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 56714022
[(3R,4S)-4-[(4-methylpiperazin-1-yl)methyl]-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 70788915
4-[(3-methoxypiperidin-1-yl)methyl]pyridine
CID 131702809
(2R)-2-(pyrazol-1-ylmethyl)-4-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-1,4-oxazepane
CID 99946385
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
4-[(3-methoxypyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 103533479

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine (CID 99950359) is 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine is CO[C@@H]1CCN(Cc2cnc(-c3ccccn3)nc2)C1.
What is the InChIKey of 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
The InChIKey is QOZCLHBMTWIPRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-13-5-7-19(11-13)10-12-8-17-15(18-9-12)14-4-2-3-6-16-14/h2-4,6,8-9,13H,5,7,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine?
5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine has a molecular weight of 270.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 99950359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).