2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine

C13H21N5 — CID 171070178

IUPAC2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCN(CC3CNC3)CC2)nc1
InChIInChI=1S/C13H21N5/c1-11-6-15-13(16-7-11)18-4-2-17(3-5-18)10-12-8-14-9-12/h6-7,12,14H,2-5,8-10H2,1H3
InChIKeyUTQFRQIFKUQIRB-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.13
Rot. Bonds3

About 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine

2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine (PubChem CID 171070178) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
PubChem CID171070178
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine
SMILESCc1cnc(N2CCN(CC3CNC3)CC2)nc1
InChIInChI=1S/C13H21N5/c1-11-6-15-13(16-7-11)18-4-2-17(3-5-18)10-12-8-14-9-12/h6-7,12,14H,2-5,8-10H2,1H3
InChIKeyUTQFRQIFKUQIRB-UHFFFAOYSA-N
XLogP0.13
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 ≤ 50.13
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-[(4-tert-butylpiperazin-1-yl)methyl]piperidin-1-yl]-5-methylpyrimidine
CID 171429388
2-[4-(pyrrolidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 62370521
4,6-dimethyl-2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]pyrimidine
CID 120847701
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]butan-1-amine
CID 63208464
5-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 171333757
9-[(1-tert-butylpiperidin-4-yl)methyl]-3-(5-methylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 171429536
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 133403794
2-[3-[[4-(1-tert-butylpiperidin-4-yl)piperazin-1-yl]methyl]azetidin-1-yl]-5-methylpyrimidine
CID 171429381
ethane;5-methyl-2-pyrrolidin-1-ylpyrimidine;propane
CID 170581673
1-(5-bromopyrimidin-2-yl)-4-(cyclobutylmethyl)-1,4-diazepane
CID 122154431

Frequently Asked Questions

What is the IUPAC name of 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine?
The IUPAC name of 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine (CID 171070178) is 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine.
What is the SMILES notation for 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine?
The canonical SMILES for 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine is Cc1cnc(N2CCN(CC3CNC3)CC2)nc1.
What is the InChIKey of 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine?
The InChIKey is UTQFRQIFKUQIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11-6-15-13(16-7-11)18-4-2-17(3-5-18)10-12-8-14-9-12/h6-7,12,14H,2-5,8-10H2,1H3.
What are the key properties of 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine?
2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine has a molecular weight of 247.35 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azetidin-3-ylmethyl)piperazin-1-yl]-5-methylpyrimidine is sourced from PubChem (CID 171070178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).