2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine

C20H26N6 — CID 126893632

IUPAC2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
SMILESc1ccc(N2CCN(C3CN(c4ccnc(C5CCC5)n4)C3)CC2)nc1
InChIInChI=1S/C20H26N6/c1-2-8-21-18(6-1)25-12-10-24(11-13-25)17-14-26(15-17)19-7-9-22-20(23-19)16-4-3-5-16/h1-2,6-9,16-17H,3-5,10-15H2
InChIKeyFKDPMOBCTGBMFH-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.15
Rot. Bonds4

About 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine

2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine (PubChem CID 126893632) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
PubChem CID126893632
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
SMILESc1ccc(N2CCN(C3CN(c4ccnc(C5CCC5)n4)C3)CC2)nc1
InChIInChI=1S/C20H26N6/c1-2-8-21-18(6-1)25-12-10-24(11-13-25)17-14-26(15-17)19-7-9-22-20(23-19)16-4-3-5-16/h1-2,6-9,16-17H,3-5,10-15H2
InChIKeyFKDPMOBCTGBMFH-UHFFFAOYSA-N
XLogP2.15
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-4-methyl-6-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893435
2-cyclopropyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893499
2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133300278
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 126893609
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine
CID 171327094
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
2-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-amine
CID 60725656

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The IUPAC name of 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine (CID 126893632) is 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine is c1ccc(N2CCN(C3CN(c4ccnc(C5CCC5)n4)C3)CC2)nc1.
What is the InChIKey of 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The InChIKey is FKDPMOBCTGBMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-2-8-21-18(6-1)25-12-10-24(11-13-25)17-14-26(15-17)19-7-9-22-20(23-19)16-4-3-5-16/h1-2,6-9,16-17H,3-5,10-15H2.
What are the key properties of 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine has a molecular weight of 350.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 126893632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).