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

C16H21N7 — CID 126893871

IUPAC2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
SMILESCc1nccc(N2CC(N3CCN(c4ncccn4)CC3)C2)n1
InChIInChI=1S/C16H21N7/c1-13-17-6-3-15(20-13)23-11-14(12-23)21-7-9-22(10-8-21)16-18-4-2-5-19-16/h2-6,14H,7-12H2,1H3
InChIKeyDRTIYFKBFCHAPW-UHFFFAOYSA-N
MW311.39 g/mol
LogP0.59
Rot. Bonds3

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

2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine (PubChem CID 126893871) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
PubChem CID126893871
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
SMILESCc1nccc(N2CC(N3CCN(c4ncccn4)CC3)C2)n1
InChIInChI=1S/C16H21N7/c1-13-17-6-3-15(20-13)23-11-14(12-23)21-7-9-22(10-8-21)16-18-4-2-5-19-16/h2-6,14H,7-12H2,1H3
InChIKeyDRTIYFKBFCHAPW-UHFFFAOYSA-N
XLogP0.59
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
2-methyl-4-[4-(oxan-4-yl)piperazin-1-yl]pyrimidine
CID 123694030
1-cyclopentyl-4-(2-methylpyrimidin-4-yl)-1,4-diazepane
CID 154742612
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862
6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine
CID 126893887
5-(2-methylpyrimidin-4-yl)-2-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 122141943
2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine
CID 126894070
1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one
CID 136543148
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidine
CID 126893944
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine (CID 126893871) is 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine is Cc1nccc(N2CC(N3CCN(c4ncccn4)CC3)C2)n1.
What is the InChIKey of 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
The InChIKey is DRTIYFKBFCHAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-13-17-6-3-15(20-13)23-11-14(12-23)21-7-9-22(10-8-21)16-18-4-2-5-19-16/h2-6,14H,7-12H2,1H3.
What are the key properties of 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine?
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine has a molecular weight of 311.39 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 126893871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).