4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine

C19H31N5 — CID 126892666

IUPAC4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine
SMILESCc1nccc(CN2CC(N3CCN(C4CCCCC4)CC3)C2)n1
InChIInChI=1S/C19H31N5/c1-16-20-8-7-17(21-16)13-22-14-19(15-22)24-11-9-23(10-12-24)18-5-3-2-4-6-18/h7-8,18-19H,2-6,9-15H2,1H3
InChIKeyMYWISBACGDGAQJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.92
Rot. Bonds4

About 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine

4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine (PubChem CID 126892666) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine
PubChem CID126892666
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine
SMILESCc1nccc(CN2CC(N3CCN(C4CCCCC4)CC3)C2)n1
InChIInChI=1S/C19H31N5/c1-16-20-8-7-17(21-16)13-22-14-19(15-22)24-11-9-23(10-12-24)18-5-3-2-4-6-18/h7-8,18-19H,2-6,9-15H2,1H3
InChIKeyMYWISBACGDGAQJ-UHFFFAOYSA-N
XLogP1.92
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine?
The IUPAC name of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine (CID 126892666) is 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine.
What is the SMILES notation for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine?
The canonical SMILES for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine is Cc1nccc(CN2CC(N3CCN(C4CCCCC4)CC3)C2)n1.
What is the InChIKey of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine?
The InChIKey is MYWISBACGDGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-16-20-8-7-17(21-16)13-22-14-19(15-22)24-11-9-23(10-12-24)18-5-3-2-4-6-18/h7-8,18-19H,2-6,9-15H2,1H3.
What are the key properties of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine?
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine has a molecular weight of 329.49 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine is sourced from PubChem (CID 126892666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).