9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine

C18H22N6 — CID 154853569

IUPAC9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
SMILESCn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
InChIInChI=1S/C18H22N6/c1-22-14-21-16-17(22)19-13-20-18(16)24-11-9-23(10-12-24)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3
InChIKeyRUJPRPDKANMAPT-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.73
Rot. Bonds4

About 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine

9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine (PubChem CID 154853569) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine.

Molecular Properties

Compound Name9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
PubChem CID154853569
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine
SMILESCn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21
InChIInChI=1S/C18H22N6/c1-22-14-21-16-17(22)19-13-20-18(16)24-11-9-23(10-12-24)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3
InChIKeyRUJPRPDKANMAPT-UHFFFAOYSA-N
XLogP1.73
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-5-[4-(2-phenylethyl)piperazin-1-yl]imidazo[4,5-b]pyridine
CID 71321562
4-[4-(9-methylpurin-6-yl)piperazin-1-yl]quinazoline
CID 154853696
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
4-[[4-(9-methylpurin-6-yl)piperazin-1-yl]methyl]benzonitrile
CID 154853567
3-[[4-(9-methylpurin-6-yl)piperazin-1-yl]methyl]-1,2-benzoxazole
CID 171998721
4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 35784873
7-methyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]purine
CID 154853679
N-benzyl-2-(9-methylpurin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 155799453
4-[4-(2-phenylethyl)piperazin-1-yl]-5-propan-2-ylpyrrolo[3,2-d]pyrimidine-7-carbonitrile
CID 127051982
6-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]-9-methylpurine
CID 163354244
9-methyl-6-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)purine
CID 154829396
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine?
The IUPAC name of 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine (CID 154853569) is 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine.
What is the SMILES notation for 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine?
The canonical SMILES for 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine is Cn1cnc2c(N3CCN(CCc4ccccc4)CC3)ncnc21.
What is the InChIKey of 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine?
The InChIKey is RUJPRPDKANMAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-22-14-21-16-17(22)19-13-20-18(16)24-11-9-23(10-12-24)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3.
What are the key properties of 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine?
9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine has a molecular weight of 322.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-[4-(2-phenylethyl)piperazin-1-yl]purine is sourced from PubChem (CID 154853569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).