2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine

C13H21N5 — CID 62370521

IUPAC2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CC3CCNC3)CC2)nc1
InChIInChI=1S/C13H21N5/c1-3-15-13(16-4-1)18-8-6-17(7-9-18)11-12-2-5-14-10-12/h1,3-4,12,14H,2,5-11H2
InChIKeyYSSSVJGSXCQKEM-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.21
Rot. Bonds3

About 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine

2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine (PubChem CID 62370521) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
PubChem CID62370521
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
SMILESc1cnc(N2CCN(CC3CCNC3)CC2)nc1
InChIInChI=1S/C13H21N5/c1-3-15-13(16-4-1)18-8-6-17(7-9-18)11-12-2-5-14-10-12/h1,3-4,12,14H,2,5-11H2
InChIKeyYSSSVJGSXCQKEM-UHFFFAOYSA-N
XLogP0.21
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]pyrimidine;ethane
CID 171070316
2-[4-[(2-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 106740839
2-[4-[(1-methylazetidin-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 171069848
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
CID 95715719
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
CID 171070178
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]azepane
CID 64569763
1-methyl-4-(pyrrolidin-3-ylmethyl)piperazine
CID 14627372
1-benzyl-4-(pyrrolidin-3-ylmethyl)piperazine;dihydrochloride
CID 56831723
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702

Frequently Asked Questions

What is the IUPAC name of 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine (CID 62370521) is 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine is c1cnc(N2CCN(CC3CCNC3)CC2)nc1.
What is the InChIKey of 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine?
The InChIKey is YSSSVJGSXCQKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-15-13(16-4-1)18-8-6-17(7-9-18)11-12-2-5-14-10-12/h1,3-4,12,14H,2,5-11H2.
What are the key properties of 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine?
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine has a molecular weight of 247.35 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 62370521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).