9-ethyl-6-(4-phenylpiperazin-1-yl)purine

C17H20N6 — CID 155980574

IUPAC9-ethyl-6-(4-phenylpiperazin-1-yl)purine
SMILESCCn1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21
InChIInChI=1S/C17H20N6/c1-2-21-13-20-15-16(21)18-12-19-17(15)23-10-8-22(9-11-23)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyOTEUDQJQHHKPIP-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.17
Rot. Bonds3

About 9-ethyl-6-(4-phenylpiperazin-1-yl)purine

9-ethyl-6-(4-phenylpiperazin-1-yl)purine (PubChem CID 155980574) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 9-ethyl-6-(4-phenylpiperazin-1-yl)purine.

Molecular Properties

Compound Name9-ethyl-6-(4-phenylpiperazin-1-yl)purine
PubChem CID155980574
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name9-ethyl-6-(4-phenylpiperazin-1-yl)purine
SMILESCCn1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21
InChIInChI=1S/C17H20N6/c1-2-21-13-20-15-16(21)18-12-19-17(15)23-10-8-22(9-11-23)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
InChIKeyOTEUDQJQHHKPIP-UHFFFAOYSA-N
XLogP2.17
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 163345167
9-ethyl-6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]purine
CID 163344774
9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
CID 166601592
6-(4-ethylpiperazin-1-yl)-9-propylpurine
CID 155561410
6-bromo-2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-1,3-benzothiazole
CID 155981269
6-[4-(4-fluorophenyl)piperazin-1-yl]-9-(2-methoxyethyl)purine
CID 154829257
7-methyl-4-(4-phenylpiperazin-1-yl)pyrrolo[2,3-d]pyrimidine
CID 110874977
2-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-6-fluoro-1,3-benzothiazole
CID 155981223
7-[4-(9-ethylpurin-6-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163345037
6-chloro-9-[3-(4-phenylpiperazin-1-yl)propyl]purine
CID 21493411
9-ethyl-6-[5-(2-phenylethylsulfonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]purine
CID 155977133
2-(9-ethylpurin-6-yl)-N-phenyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 155977098

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-6-(4-phenylpiperazin-1-yl)purine?
The IUPAC name of 9-ethyl-6-(4-phenylpiperazin-1-yl)purine (CID 155980574) is 9-ethyl-6-(4-phenylpiperazin-1-yl)purine.
What is the SMILES notation for 9-ethyl-6-(4-phenylpiperazin-1-yl)purine?
The canonical SMILES for 9-ethyl-6-(4-phenylpiperazin-1-yl)purine is CCn1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21.
What is the InChIKey of 9-ethyl-6-(4-phenylpiperazin-1-yl)purine?
The InChIKey is OTEUDQJQHHKPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-21-13-20-15-16(21)18-12-19-17(15)23-10-8-22(9-11-23)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3.
What are the key properties of 9-ethyl-6-(4-phenylpiperazin-1-yl)purine?
9-ethyl-6-(4-phenylpiperazin-1-yl)purine has a molecular weight of 308.39 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-6-(4-phenylpiperazin-1-yl)purine is sourced from PubChem (CID 155980574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).