5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine

C19H24N8 — CID 126894108

IUPAC5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine
SMILESCc1cc2ncnc(N3CC(N4CCN(c5ncccn5)CC4)C3)c2n1C
InChIInChI=1S/C19H24N8/c1-14-10-16-17(24(14)2)18(23-13-22-16)27-11-15(12-27)25-6-8-26(9-7-25)19-20-4-3-5-21-19/h3-5,10,13,15H,6-9,11-12H2,1-2H3
InChIKeyMFXGMSQBLDFDBE-UHFFFAOYSA-N
MW364.46 g/mol
LogP1.08
Rot. Bonds3

About 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine

5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine (PubChem CID 126894108) has the molecular formula C19H24N8 and a molecular weight of 364.46 g/mol. Its IUPAC name is 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine
PubChem CID126894108
Molecular FormulaC19H24N8
Molecular Weight364.46 g/mol
Exact Mass364.21
IUPAC Name5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine
SMILESCc1cc2ncnc(N3CC(N4CCN(c5ncccn5)CC4)C3)c2n1C
InChIInChI=1S/C19H24N8/c1-14-10-16-17(24(14)2)18(23-13-22-16)27-11-15(12-27)25-6-8-26(9-7-25)19-20-4-3-5-21-19/h3-5,10,13,15H,6-9,11-12H2,1-2H3
InChIKeyMFXGMSQBLDFDBE-UHFFFAOYSA-N
XLogP1.08
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine with MolForge

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Related Compounds

1-methyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]benzimidazole
CID 126893862
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
N-[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 126887890
4-[2-(6-tert-butylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5,6-dimethylpyrrolo[3,2-d]pyrimidine
CID 126932605
5-methyl-7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126893828
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
5-methyl-3-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 126893851
6-cyclopropyl-2-[[1-(5,6-dimethylpyrrolo[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927589
4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892410
2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]-1H-benzimidazole
CID 126893831
6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine
CID 126893887

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine (CID 126894108) is 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine is Cc1cc2ncnc(N3CC(N4CCN(c5ncccn5)CC4)C3)c2n1C.
What is the InChIKey of 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine?
The InChIKey is MFXGMSQBLDFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8/c1-14-10-16-17(24(14)2)18(23-13-22-16)27-11-15(12-27)25-6-8-26(9-7-25)19-20-4-3-5-21-19/h3-5,10,13,15H,6-9,11-12H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine?
5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine has a molecular weight of 364.46 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 126894108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).