2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine

C22H24N4 — CID 68727753

IUPAC2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
SMILESc1ccc2cc(-c3ccnc(N4CCC(CN5CCC5)C4)n3)ccc2c1
InChIInChI=1S/C22H24N4/c1-2-5-19-14-20(7-6-18(19)4-1)21-8-10-23-22(24-21)26-13-9-17(16-26)15-25-11-3-12-25/h1-2,4-8,10,14,17H,3,9,11-13,15-16H2
InChIKeyMZSIUSOESVFPHO-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.83
Rot. Bonds4

About 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine

2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine (PubChem CID 68727753) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
PubChem CID68727753
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
SMILESc1ccc2cc(-c3ccnc(N4CCC(CN5CCC5)C4)n3)ccc2c1
InChIInChI=1S/C22H24N4/c1-2-5-19-14-20(7-6-18(19)4-1)21-8-10-23-22(24-21)26-13-9-17(16-26)15-25-11-3-12-25/h1-2,4-8,10,14,17H,3,9,11-13,15-16H2
InChIKeyMZSIUSOESVFPHO-UHFFFAOYSA-N
XLogP3.83
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68729602
[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 25217111
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
CID 68726476
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
[1-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
CID 68727587
[1-[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]piperidin-3-yl]methanol
CID 68727972
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]methyl 4-methylbenzenesulfonate
CID 87560832
N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine
CID 69082132
N-[2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]ethyl]pyrrolidine-1-carboxamide
CID 68728512
2-[4-[[methyl(methylsulfamoyl)amino]methyl]piperidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68728464

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine (CID 68727753) is 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine is c1ccc2cc(-c3ccnc(N4CCC(CN5CCC5)C4)n3)ccc2c1.
What is the InChIKey of 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
The InChIKey is MZSIUSOESVFPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-5-19-14-20(7-6-18(19)4-1)21-8-10-23-22(24-21)26-13-9-17(16-26)15-25-11-3-12-25/h1-2,4-8,10,14,17H,3,9,11-13,15-16H2.
What are the key properties of 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine?
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine has a molecular weight of 344.46 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 68727753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).