4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine

C21H29N5 — CID 56883222

IUPAC4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCC(C3CCN(CCc4ccccc4)C3)CC2)n1
InChIInChI=1S/C21H29N5/c22-21-23-11-6-20(24-21)26-14-9-18(10-15-26)19-8-13-25(16-19)12-7-17-4-2-1-3-5-17/h1-6,11,18-19H,7-10,12-16H2,(H2,22,23,24)
InChIKeyLARPSEWLNNELGN-UHFFFAOYSA-N
MW351.50 g/mol
LogP2.84
Rot. Bonds5

About 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine

4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 56883222) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
PubChem CID56883222
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC Name4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine
SMILESNc1nccc(N2CCC(C3CCN(CCc4ccccc4)C3)CC2)n1
InChIInChI=1S/C21H29N5/c22-21-23-11-6-20(24-21)26-14-9-18(10-15-26)19-8-13-25(16-19)12-7-17-4-2-1-3-5-17/h1-6,11,18-19H,7-10,12-16H2,(H2,22,23,24)
InChIKeyLARPSEWLNNELGN-UHFFFAOYSA-N
XLogP2.84
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 45220184
2-[4-[1-(2-phenylethyl)piperidin-4-yl]piperidin-1-yl]-1,3-thiazole
CID 155501199
1-[(1-methylpyrazol-4-yl)methyl]-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine
CID 45205063
6-[(3R)-3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 95722474
6-[3-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 56908017
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
(3R)-1-[2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95128882
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
(3-methyl-2-pyridinyl)-[4-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]methanone
CID 42244536
N,N-dimethyl-4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidine-1-sulfonamide
CID 45245585
3-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]sulfonylpyridine
CID 45226112
4-(azetidin-1-yl)pyrimidin-2-amine
CID 118975953

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine (CID 56883222) is 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine is Nc1nccc(N2CCC(C3CCN(CCc4ccccc4)C3)CC2)n1.
What is the InChIKey of 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is LARPSEWLNNELGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c22-21-23-11-6-20(24-21)26-14-9-18(10-15-26)19-8-13-25(16-19)12-7-17-4-2-1-3-5-17/h1-6,11,18-19H,7-10,12-16H2,(H2,22,23,24).
What are the key properties of 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine?
4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 351.50 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2-phenylethyl)pyrrolidin-3-yl]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 56883222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).