1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine

C21H23N5 — CID 133294122

IUPAC1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
SMILESCCc1cc(N2CCC(Nc3ccccc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H23N5/c1-2-17-14-20(25-21(24-17)16-8-11-22-12-9-16)26-13-10-19(15-26)23-18-6-4-3-5-7-18/h3-9,11-12,14,19,23H,2,10,13,15H2,1H3
InChIKeyXUCBIISCWFGBGD-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.79
Rot. Bonds5

About 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine

1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine (PubChem CID 133294122) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
PubChem CID133294122
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
SMILESCCc1cc(N2CCC(Nc3ccccc3)C2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H23N5/c1-2-17-14-20(25-21(24-17)16-8-11-22-12-9-16)26-13-10-19(15-26)23-18-6-4-3-5-7-18/h3-9,11-12,14,19,23H,2,10,13,15H2,1H3
InChIKeyXUCBIISCWFGBGD-UHFFFAOYSA-N
XLogP3.79
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine?
The IUPAC name of 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine (CID 133294122) is 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine.
What is the SMILES notation for 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine?
The canonical SMILES for 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine is CCc1cc(N2CCC(Nc3ccccc3)C2)nc(-c2ccncc2)n1.
What is the InChIKey of 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine?
The InChIKey is XUCBIISCWFGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-2-17-14-20(25-21(24-17)16-8-11-22-12-9-16)26-13-10-19(15-26)23-18-6-4-3-5-7-18/h3-9,11-12,14,19,23H,2,10,13,15H2,1H3.
What are the key properties of 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine?
1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine has a molecular weight of 345.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine is sourced from PubChem (CID 133294122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).