3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane

C16H20N4O — CID 128509421

IUPAC3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane
SMILESCc1nc(N2CC3(CCCO3)C2C2CC2)c2cc[nH]c2n1
InChIInChI=1S/C16H20N4O/c1-10-18-14-12(5-7-17-14)15(19-10)20-9-16(6-2-8-21-16)13(20)11-3-4-11/h5,7,11,13H,2-4,6,8-9H2,1H3,(H,17,18,19)
InChIKeyCMNVXNOIWYMOLK-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.41
Rot. Bonds2

About 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane

3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane (PubChem CID 128509421) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane
PubChem CID128509421
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane
SMILESCc1nc(N2CC3(CCCO3)C2C2CC2)c2cc[nH]c2n1
InChIInChI=1S/C16H20N4O/c1-10-18-14-12(5-7-17-14)15(19-10)20-9-16(6-2-8-21-16)13(20)11-3-4-11/h5,7,11,13H,2-4,6,8-9H2,1H3,(H,17,18,19)
InChIKeyCMNVXNOIWYMOLK-UHFFFAOYSA-N
XLogP2.41
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane 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 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane (CID 128509421) is 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane is Cc1nc(N2CC3(CCCO3)C2C2CC2)c2cc[nH]c2n1.
What is the InChIKey of 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is CMNVXNOIWYMOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-18-14-12(5-7-17-14)15(19-10)20-9-16(6-2-8-21-16)13(20)11-3-4-11/h5,7,11,13H,2-4,6,8-9H2,1H3,(H,17,18,19).
What are the key properties of 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane?
3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 284.36 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 128509421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).