5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine

C17H22N4 — CID 166613520

IUPAC5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCCCc1cnc(N2CCC(Cc3ccccn3)C2)nc1
InChIInChI=1S/C17H22N4/c1-2-5-15-11-19-17(20-12-15)21-9-7-14(13-21)10-16-6-3-4-8-18-16/h3-4,6,8,11-12,14H,2,5,7,9-10,13H2,1H3
InChIKeyYYXXIRAEYHICCT-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.89
Rot. Bonds5

About 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine

5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine (PubChem CID 166613520) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
PubChem CID166613520
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine
SMILESCCCc1cnc(N2CCC(Cc3ccccn3)C2)nc1
InChIInChI=1S/C17H22N4/c1-2-5-15-11-19-17(20-12-15)21-9-7-14(13-21)10-16-6-3-4-8-18-16/h3-4,6,8,11-12,14H,2,5,7,9-10,13H2,1H3
InChIKeyYYXXIRAEYHICCT-UHFFFAOYSA-N
XLogP2.89
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(5-propylpyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 116976846
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
5-ethyl-2-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]pyridine
CID 166683418
3-[[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]phenol
CID 166612387
(3S,4S)-4-hydroxy-1-(5-propylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 135096991
[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]methanesulfonic acid
CID 86658031
5-[[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 95827791
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
2-piperidin-1-yl-5-propylpyrimidine
CID 123831355
1-(5-propylpyrimidin-2-yl)piperidine-4-sulfonic acid
CID 151995167
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895

Frequently Asked Questions

What is the IUPAC name of 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine (CID 166613520) is 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine is CCCc1cnc(N2CCC(Cc3ccccn3)C2)nc1.
What is the InChIKey of 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine?
The InChIKey is YYXXIRAEYHICCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-2-5-15-11-19-17(20-12-15)21-9-7-14(13-21)10-16-6-3-4-8-18-16/h3-4,6,8,11-12,14H,2,5,7,9-10,13H2,1H3.
What are the key properties of 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine?
5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-2-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 166613520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).