[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol

C18H26N4O — CID 167971272

IUPAC[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol
SMILESCCc1c[nH]c2ncnc(NC3CC4(CCC(CO)CC4)C3)c12
InChIInChI=1S/C18H26N4O/c1-2-13-9-19-16-15(13)17(21-11-20-16)22-14-7-18(8-14)5-3-12(10-23)4-6-18/h9,11-12,14,23H,2-8,10H2,1H3,(H2,19,20,21,22)
InChIKeyVERNZEOOHJVOHR-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.26
Rot. Bonds4

About [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol

[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol (PubChem CID 167971272) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol.

Molecular Properties

Compound Name[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol
PubChem CID167971272
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol
SMILESCCc1c[nH]c2ncnc(NC3CC4(CCC(CO)CC4)C3)c12
InChIInChI=1S/C18H26N4O/c1-2-13-9-19-16-15(13)17(21-11-20-16)22-14-7-18(8-14)5-3-12(10-23)4-6-18/h9,11-12,14,23H,2-8,10H2,1H3,(H2,19,20,21,22)
InChIKeyVERNZEOOHJVOHR-UHFFFAOYSA-N
XLogP3.26
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol?
The IUPAC name of [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol (CID 167971272) is [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol.
What is the SMILES notation for [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol?
The canonical SMILES for [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol is CCc1c[nH]c2ncnc(NC3CC4(CCC(CO)CC4)C3)c12.
What is the InChIKey of [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol?
The InChIKey is VERNZEOOHJVOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-13-9-19-16-15(13)17(21-11-20-16)22-14-7-18(8-14)5-3-12(10-23)4-6-18/h9,11-12,14,23H,2-8,10H2,1H3,(H2,19,20,21,22).
What are the key properties of [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol?
[2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol has a molecular weight of 314.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]spiro[3.5]nonan-7-yl]methanol is sourced from PubChem (CID 167971272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).