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

C19H19N5 — CID 56714022

IUPAC2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESc1ccc(-c2ncc(CN3CCCC3c3ccccn3)cn2)nc1
InChIInChI=1S/C19H19N5/c1-3-9-20-16(6-1)18-8-5-11-24(18)14-15-12-22-19(23-13-15)17-7-2-4-10-21-17/h1-4,6-7,9-10,12-13,18H,5,8,11,14H2
InChIKeyMBFFSCBZJQNWKV-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.27
Rot. Bonds4

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

2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine (PubChem CID 56714022) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine.

Molecular Properties

Compound Name2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
PubChem CID56714022
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine
SMILESc1ccc(-c2ncc(CN3CCCC3c3ccccn3)cn2)nc1
InChIInChI=1S/C19H19N5/c1-3-9-20-16(6-1)18-8-5-11-24(18)14-15-12-22-19(23-13-15)17-7-2-4-10-21-17/h1-4,6-7,9-10,12-13,18H,5,8,11,14H2
InChIKeyMBFFSCBZJQNWKV-UHFFFAOYSA-N
XLogP3.27
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99939665
5-[[2-(furan-2-yl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 135118843
5-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-2-pyrrolidin-1-ylpyrimidine
CID 95219231
3-methyl-5-[(2S)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 99957100
2-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95841459
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyridine
CID 95730792
N,N-dimethyl-2-[(2R)-1-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]piperidin-2-yl]ethanamine
CID 95874368
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
2-[(2S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-2-yl]pyridine
CID 99943792
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 73440222
4-[[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95729061

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine?
The IUPAC name of 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine (CID 56714022) is 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine.
What is the SMILES notation for 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine?
The canonical SMILES for 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine is c1ccc(-c2ncc(CN3CCCC3c3ccccn3)cn2)nc1.
What is the InChIKey of 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine?
The InChIKey is MBFFSCBZJQNWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-3-9-20-16(6-1)18-8-5-11-24(18)14-15-12-22-19(23-13-15)17-7-2-4-10-21-17/h1-4,6-7,9-10,12-13,18H,5,8,11,14H2.
What are the key properties of 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine?
2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine has a molecular weight of 317.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-5-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]pyrimidine is sourced from PubChem (CID 56714022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).