5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine

C16H20N4O2 — CID 71542879

IUPAC5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
SMILESCOCCOc1cnc(-c2ccccn2)nc1N1CCCC1
InChIInChI=1S/C16H20N4O2/c1-21-10-11-22-14-12-18-15(13-6-2-3-7-17-13)19-16(14)20-8-4-5-9-20/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyOBGXCZGIQVUVEL-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.16
Rot. Bonds6

About 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine

5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine (PubChem CID 71542879) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
PubChem CID71542879
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
SMILESCOCCOc1cnc(-c2ccccn2)nc1N1CCCC1
InChIInChI=1S/C16H20N4O2/c1-21-10-11-22-14-12-18-15(13-6-2-3-7-17-13)19-16(14)20-8-4-5-9-20/h2-3,6-7,12H,4-5,8-11H2,1H3
InChIKeyOBGXCZGIQVUVEL-UHFFFAOYSA-N
XLogP2.16
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine
CID 1470848
1-(4-chlorophenyl)-4-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepane
CID 71542972
5-(2-methoxyethoxy)-2-pyridin-2-ylpyridine
CID 137419223
[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 124961803
N-(4-methoxybutyl)-2-pyridin-2-yl-4-thiomorpholin-4-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 137429708
4-(2-methoxyethoxy)-2,6-dipyridin-2-ylpyridine
CID 14879099
2,6-bis(2-methoxyethoxy)-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
CID 11166752
4-[4-(1-methoxypropan-2-yl)piperazin-1-yl]-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 133294526
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(4-methoxybutyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 142506400
4-(2-cyclopropylethyl)-5-methoxy-2-pyridin-2-ylpyrimidine
CID 162135804
N-ethyl-5-methoxy-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 51042235
5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 51042448

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine (CID 71542879) is 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine is COCCOc1cnc(-c2ccccn2)nc1N1CCCC1.
What is the InChIKey of 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is OBGXCZGIQVUVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-21-10-11-22-14-12-18-15(13-6-2-3-7-17-13)19-16(14)20-8-4-5-9-20/h2-3,6-7,12H,4-5,8-11H2,1H3.
What are the key properties of 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine?
5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 300.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxy)-2-pyridin-2-yl-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 71542879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).