N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine

C20H22N4 — CID 67408270

IUPACN-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESCC(NC1CCN(c2ncccn2)C1)c1cccc2ccccc12
InChIInChI=1S/C20H22N4/c1-15(18-9-4-7-16-6-2-3-8-19(16)18)23-17-10-13-24(14-17)20-21-11-5-12-22-20/h2-9,11-12,15,17,23H,10,13-14H2,1H3
InChIKeyVKXVDELUCXXPGG-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.56
Rot. Bonds4

About N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine

N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine (PubChem CID 67408270) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
PubChem CID67408270
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine
SMILESCC(NC1CCN(c2ncccn2)C1)c1cccc2ccccc12
InChIInChI=1S/C20H22N4/c1-15(18-9-4-7-16-6-2-3-8-19(16)18)23-17-10-13-24(14-17)20-21-11-5-12-22-20/h2-9,11-12,15,17,23H,10,13-14H2,1H3
InChIKeyVKXVDELUCXXPGG-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-naphthalen-1-ylethyl]-1-(2H-tetrazol-5-yl)pyrrolidin-3-amine
CID 67407317
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
(3R)-1-(3-chloropyrazin-2-yl)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;2,3-dichloropyrazine;(3R)-N-[(1R)-1-naphthalen-1-ylethyl]pyrrolidin-3-amine;tetrahydrochloride
CID 158985492
N,N-dimethyl-4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzamide;hydrochloride
CID 67410917
2-[[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl]amino]acetic acid
CID 67407591
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
N-[(1R)-1-naphthalen-1-ylethyl]azetidin-3-amine
CID 58973497
1-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 175139802
ethyl 2-[4-[3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]acetate
CID 150085574
2-[1-[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]phenyl]cyclopropyl]acetic acid
CID 175139277
1-[4-[(3S)-3-(1-naphthalen-1-ylethylamino)pyrrolidin-1-yl]phenyl]-5-(oxomethylidene)pyrrolidine-3-carboxylic acid
CID 175139803
tert-butyl (3S)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 175358217

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine (CID 67408270) is N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine is CC(NC1CCN(c2ncccn2)C1)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine?
The InChIKey is VKXVDELUCXXPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15(18-9-4-7-16-6-2-3-8-19(16)18)23-17-10-13-24(14-17)20-21-11-5-12-22-20/h2-9,11-12,15,17,23H,10,13-14H2,1H3.
What are the key properties of N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine?
N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine has a molecular weight of 318.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-1-pyrimidin-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 67408270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).