9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine

C17H20N10O — CID 163344885

IUPAC9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine
SMILESCOCCn1cnc2c(N3CCN(c4ncnc5[nH]ncc45)CC3)ncnc21
InChIInChI=1S/C17H20N10O/c1-28-7-6-27-11-22-13-16(20-10-21-17(13)27)26-4-2-25(3-5-26)15-12-8-23-24-14(12)18-9-19-15/h8-11H,2-7H2,1H3,(H,18,19,23,24)
InChIKeySVJNWRSOXFDSLM-UHFFFAOYSA-N
MW380.42 g/mol
LogP0.47
Rot. Bonds5

About 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine

9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine (PubChem CID 163344885) has the molecular formula C17H20N10O and a molecular weight of 380.42 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine.

Molecular Properties

Compound Name9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine
PubChem CID163344885
Molecular FormulaC17H20N10O
Molecular Weight380.42 g/mol
Exact Mass380.18
IUPAC Name9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine
SMILESCOCCn1cnc2c(N3CCN(c4ncnc5[nH]ncc45)CC3)ncnc21
InChIInChI=1S/C17H20N10O/c1-28-7-6-27-11-22-13-16(20-10-21-17(13)27)26-4-2-25(3-5-26)15-12-8-23-24-14(12)18-9-19-15/h8-11H,2-7H2,1H3,(H,18,19,23,24)
InChIKeySVJNWRSOXFDSLM-UHFFFAOYSA-N
XLogP0.47
TPSA113.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine?
The IUPAC name of 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine (CID 163344885) is 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine.
What is the SMILES notation for 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine?
The canonical SMILES for 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine is COCCn1cnc2c(N3CCN(c4ncnc5[nH]ncc45)CC3)ncnc21.
What is the InChIKey of 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine?
The InChIKey is SVJNWRSOXFDSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N10O/c1-28-7-6-27-11-22-13-16(20-10-21-17(13)27)26-4-2-25(3-5-26)15-12-8-23-24-14(12)18-9-19-15/h8-11H,2-7H2,1H3,(H,18,19,23,24).
What are the key properties of 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine?
9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine has a molecular weight of 380.42 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]purine is sourced from PubChem (CID 163344885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).