4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine

C12H19N5 — CID 66201241

IUPAC4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(C3CNC3)CC2)ncn1
InChIInChI=1S/C12H19N5/c1-10-6-12(15-9-14-10)17-4-2-16(3-5-17)11-7-13-8-11/h6,9,11,13H,2-5,7-8H2,1H3
InChIKeyXLTPGHPKOMFLKL-UHFFFAOYSA-N
MW233.32 g/mol
LogP-0.12
Rot. Bonds2

About 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine

4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine (PubChem CID 66201241) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine.

Molecular Properties

Compound Name4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine
PubChem CID66201241
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine
SMILESCc1cc(N2CCN(C3CNC3)CC2)ncn1
InChIInChI=1S/C12H19N5/c1-10-6-12(15-9-14-10)17-4-2-16(3-5-17)11-7-13-8-11/h6,9,11,13H,2-5,7-8H2,1H3
InChIKeyXLTPGHPKOMFLKL-UHFFFAOYSA-N
XLogP-0.12
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine?
The IUPAC name of 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine (CID 66201241) is 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine.
What is the SMILES notation for 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine?
The canonical SMILES for 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine is Cc1cc(N2CCN(C3CNC3)CC2)ncn1.
What is the InChIKey of 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine?
The InChIKey is XLTPGHPKOMFLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-10-6-12(15-9-14-10)17-4-2-16(3-5-17)11-7-13-8-11/h6,9,11,13H,2-5,7-8H2,1H3.
What are the key properties of 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine?
4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine has a molecular weight of 233.32 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(azetidin-3-yl)piperazin-1-yl]-6-methylpyrimidine is sourced from PubChem (CID 66201241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).