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

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Related Compounds

2-methyl-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 67258807
(2S)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059752
azepan-1-yl-[(3R)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 96567439
(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 96566817
3-[(2R)-4-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]phenol
CID 97069435
[(3R,4R)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl]-(1-propan-2-ylpyrazol-3-yl)methanone
CID 125144117
[5-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane-2-carbonyl)-3-pyridinyl]-(3-cyclopropyl-5-oxa-2-azaspiro[3.4]octan-2-yl)methanone
CID 166208477
8-fluoro-2-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 146085751
2-methyl-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 130614883
6-ethoxy-N-[1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 136531950
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;hydrobromide
CID 158942774
(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane
CID 124710254

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).