2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine

C19H25N7 — CID 126893944

IUPAC2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
SMILESc1cnc(N2CCN(C3CN(Cc4ccnc(C5CC5)n4)C3)CC2)nc1
InChIInChI=1S/C19H25N7/c1-5-21-19(22-6-1)26-10-8-25(9-11-26)17-13-24(14-17)12-16-4-7-20-18(23-16)15-2-3-15/h1,4-7,15,17H,2-3,8-14H2
InChIKeyQOBJNXLYZKQMCT-UHFFFAOYSA-N
MW351.46 g/mol
LogP1.15
Rot. Bonds5

About 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine

2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine (PubChem CID 126893944) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
PubChem CID126893944
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC Name2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
SMILESc1cnc(N2CCN(C3CN(Cc4ccnc(C5CC5)n4)C3)CC2)nc1
InChIInChI=1S/C19H25N7/c1-5-21-19(22-6-1)26-10-8-25(9-11-26)17-13-24(14-17)12-16-4-7-20-18(23-16)15-2-3-15/h1,4-7,15,17H,2-3,8-14H2
InChIKeyQOBJNXLYZKQMCT-UHFFFAOYSA-N
XLogP1.15
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine with MolForge

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Related Compounds

2-cyclopropyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893499
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 126893855
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893977
1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
CID 126893933
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine
CID 126892666
4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]benzonitrile
CID 126893849
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126893848
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126893918
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851
2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126893915
2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
CID 19958540

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine (CID 126893944) is 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine is c1cnc(N2CCN(C3CN(Cc4ccnc(C5CC5)n4)C3)CC2)nc1.
What is the InChIKey of 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine?
The InChIKey is QOBJNXLYZKQMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-5-21-19(22-6-1)26-10-8-25(9-11-26)17-13-24(14-17)12-16-4-7-20-18(23-16)15-2-3-15/h1,4-7,15,17H,2-3,8-14H2.
What are the key properties of 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine?
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine has a molecular weight of 351.46 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 126893944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).