6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine

C18H24N8O — CID 155798891

IUPAC6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine
SMILESCOCCn1cnc2c(N3CCN(c4ncnc(C)c4C)CC3)ncnc21
InChIInChI=1S/C18H24N8O/c1-13-14(2)19-10-20-16(13)24-4-6-25(7-5-24)17-15-18(22-11-21-17)26(12-23-15)8-9-27-3/h10-12H,4-9H2,1-3H3
InChIKeyOLPKNZONCCDECC-UHFFFAOYSA-N
MW368.45 g/mol
LogP1.21
Rot. Bonds5

About 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine

6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine (PubChem CID 155798891) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine.

Molecular Properties

Compound Name6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine
PubChem CID155798891
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine
SMILESCOCCn1cnc2c(N3CCN(c4ncnc(C)c4C)CC3)ncnc21
InChIInChI=1S/C18H24N8O/c1-13-14(2)19-10-20-16(13)24-4-6-25(7-5-24)17-15-18(22-11-21-17)26(12-23-15)8-9-27-3/h10-12H,4-9H2,1-3H3
InChIKeyOLPKNZONCCDECC-UHFFFAOYSA-N
XLogP1.21
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine?
The IUPAC name of 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine (CID 155798891) is 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine.
What is the SMILES notation for 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine?
The canonical SMILES for 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine is COCCn1cnc2c(N3CCN(c4ncnc(C)c4C)CC3)ncnc21.
What is the InChIKey of 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine?
The InChIKey is OLPKNZONCCDECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-13-14(2)19-10-20-16(13)24-4-6-25(7-5-24)17-15-18(22-11-21-17)26(12-23-15)8-9-27-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine?
6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine has a molecular weight of 368.45 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-9-(2-methoxyethyl)purine is sourced from PubChem (CID 155798891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).