8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine

C16H22N8 — CID 90159266

IUPAC8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine
SMILESCCn1ncc(-c2nc3c(NC4CCNC4)ncnc3n2C)c1C
InChIInChI=1S/C16H22N8/c1-4-24-10(2)12(8-20-24)15-22-13-14(21-11-5-6-17-7-11)18-9-19-16(13)23(15)3/h8-9,11,17H,4-7H2,1-3H3,(H,18,19,21)
InChIKeyQBXCIPNJRHNVMB-UHFFFAOYSA-N
MW326.41 g/mol
LogP1.33
Rot. Bonds4

About 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine

8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine (PubChem CID 90159266) has the molecular formula C16H22N8 and a molecular weight of 326.41 g/mol. Its IUPAC name is 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine.

Molecular Properties

Compound Name8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine
PubChem CID90159266
Molecular FormulaC16H22N8
Molecular Weight326.41 g/mol
Exact Mass326.20
IUPAC Name8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine
SMILESCCn1ncc(-c2nc3c(NC4CCNC4)ncnc3n2C)c1C
InChIInChI=1S/C16H22N8/c1-4-24-10(2)12(8-20-24)15-22-13-14(21-11-5-6-17-7-11)18-9-19-16(13)23(15)3/h8-9,11,17H,4-7H2,1-3H3,(H,18,19,21)
InChIKeyQBXCIPNJRHNVMB-UHFFFAOYSA-N
XLogP1.33
TPSA85.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine?
The IUPAC name of 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine (CID 90159266) is 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine.
What is the SMILES notation for 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine?
The canonical SMILES for 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine is CCn1ncc(-c2nc3c(NC4CCNC4)ncnc3n2C)c1C.
What is the InChIKey of 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine?
The InChIKey is QBXCIPNJRHNVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8/c1-4-24-10(2)12(8-20-24)15-22-13-14(21-11-5-6-17-7-11)18-9-19-16(13)23(15)3/h8-9,11,17H,4-7H2,1-3H3,(H,18,19,21).
What are the key properties of 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine?
8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine has a molecular weight of 326.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-ethyl-5-methylpyrazol-4-yl)-9-methyl-N-pyrrolidin-3-ylpurin-6-amine is sourced from PubChem (CID 90159266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).