2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine

C15H18N4O — CID 131932086

IUPAC2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESCOc1ncc(CN2CCCC2c2cccnc2)cn1
InChIInChI=1S/C15H18N4O/c1-20-15-17-8-12(9-18-15)11-19-7-3-5-14(19)13-4-2-6-16-10-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3
InChIKeyAZZBYTOMGCOJRK-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.22
Rot. Bonds4

About 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine

2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine (PubChem CID 131932086) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
PubChem CID131932086
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESCOc1ncc(CN2CCCC2c2cccnc2)cn1
InChIInChI=1S/C15H18N4O/c1-20-15-17-8-12(9-18-15)11-19-7-3-5-14(19)13-4-2-6-16-10-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3
InChIKeyAZZBYTOMGCOJRK-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 136547341
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193
N-[4-[(2S)-1-[(2-methoxypyrimidin-5-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 125004240
3-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyridine
CID 146126331
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
2-(2-methoxyethyl)-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136558630
3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 2857341
3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
2-methoxy-5-[(2-methylpyrrolidin-1-yl)methyl]pyrimidine
CID 169307356
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine (CID 131932086) is 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine is COc1ncc(CN2CCCC2c2cccnc2)cn1.
What is the InChIKey of 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine?
The InChIKey is AZZBYTOMGCOJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-20-15-17-8-12(9-18-15)11-19-7-3-5-14(19)13-4-2-6-16-10-13/h2,4,6,8-10,14H,3,5,7,11H2,1H3.
What are the key properties of 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine?
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine has a molecular weight of 270.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 131932086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).