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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Related Compounds

1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 110277725
[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]urea
CID 133344995
4-ethyl-6-[3-(phenoxymethyl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133308307
5-[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 133294642
[(3S)-1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95337185
6-ethyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133358047
1-(6-ethyl-2-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 71564056
1-[4-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-2-methylpiperazin-1-yl]propan-2-ol
CID 133294882
7-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 133327702
4-ethyl-2-pyridin-4-yl-6-[3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidine
CID 133294152
1-[[1-(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-3-(4-methylphenyl)urea
CID 133294107
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037

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).