4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine

C22H24N4 — CID 68726476

IUPAC4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
SMILESc1ccc2cc(-c3ccnc(N4CCC(N5CCCC5)C4)n3)ccc2c1
InChIInChI=1S/C22H24N4/c1-2-6-18-15-19(8-7-17(18)5-1)21-9-11-23-22(24-21)26-14-10-20(16-26)25-12-3-4-13-25/h1-2,5-9,11,15,20H,3-4,10,12-14,16H2
InChIKeyXZFZJSHNWZPIOF-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.97
Rot. Bonds3

About 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine

4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine (PubChem CID 68726476) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
PubChem CID68726476
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine
SMILESc1ccc2cc(-c3ccnc(N4CCC(N5CCCC5)C4)n3)ccc2c1
InChIInChI=1S/C22H24N4/c1-2-6-18-15-19(8-7-17(18)5-1)21-9-11-23-22(24-21)26-14-10-20(16-26)25-12-3-4-13-25/h1-2,5-9,11,15,20H,3-4,10,12-14,16H2
InChIKeyXZFZJSHNWZPIOF-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[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
2-[3-(azetidin-1-ylmethyl)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68727753
[(3S)-1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 25217111
[1-(4-naphthalen-2-ylpyrimidin-2-yl)azepan-4-yl]methanamine
CID 68725072
2-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68729602
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-3-yl]methylcarbamic acid
CID 68730055
1-[1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-3-propan-2-ylurea
CID 68726054
2-[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]acetic acid
CID 69083843
2-[(3R)-3-(dimethylsulfamoylamino)pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 25217829
N,N'-dimethyl-N'-[(3R)-1-(4-naphthalen-2-ylpyrimidin-2-yl)pyrrolidin-3-yl]-N-propylethane-1,2-diamine
CID 69082132
[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl] acetate
CID 91343706

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine (CID 68726476) is 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine is c1ccc2cc(-c3ccnc(N4CCC(N5CCCC5)C4)n3)ccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine?
The InChIKey is XZFZJSHNWZPIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-2-6-18-15-19(8-7-17(18)5-1)21-9-11-23-22(24-21)26-14-10-20(16-26)25-12-3-4-13-25/h1-2,5-9,11,15,20H,3-4,10,12-14,16H2.
What are the key properties of 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine?
4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine has a molecular weight of 344.46 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 68726476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).