4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine

C14H15BrN4O — CID 125423872

IUPAC4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine
SMILESCc1nccc(N2CC[C@@H](Oc3cncc(Br)c3)C2)n1
InChIInChI=1S/C14H15BrN4O/c1-10-17-4-2-14(18-10)19-5-3-12(9-19)20-13-6-11(15)7-16-8-13/h2,4,6-8,12H,3,5,9H2,1H3/t12-/m1/s1
InChIKeyJNYHHUNCIUGQAD-GFCCVEGCSA-N
MW335.21 g/mol
LogP2.60
Rot. Bonds3

About 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine

4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine (PubChem CID 125423872) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine
PubChem CID125423872
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine
SMILESCc1nccc(N2CC[C@@H](Oc3cncc(Br)c3)C2)n1
InChIInChI=1S/C14H15BrN4O/c1-10-17-4-2-14(18-10)19-5-3-12(9-19)20-13-6-11(15)7-16-8-13/h2,4,6-8,12H,3,5,9H2,1H3/t12-/m1/s1
InChIKeyJNYHHUNCIUGQAD-GFCCVEGCSA-N
XLogP2.60
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 166258912
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
CID 139028665
4-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 166246123
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
3-[3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
CID 126828784
4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide
CID 155992556
4-[3-[(3-methyl-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylsulfanylpyrimidine
CID 155975796
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
4-methyl-6-[(3R)-3-phenoxypyrrolidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 154842652
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine (CID 125423872) is 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine is Cc1nccc(N2CC[C@@H](Oc3cncc(Br)c3)C2)n1.
What is the InChIKey of 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine?
The InChIKey is JNYHHUNCIUGQAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-10-17-4-2-14(18-10)19-5-3-12(9-19)20-13-6-11(15)7-16-8-13/h2,4,6-8,12H,3,5,9H2,1H3/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine?
4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine has a molecular weight of 335.21 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 125423872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).