6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine

C16H23N5 — CID 167944379

IUPAC6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine
SMILESCCc1c[nH]c2ncnc(N3CCC(N)C4(CCC4)C3)c12
InChIInChI=1S/C16H23N5/c1-2-11-8-18-14-13(11)15(20-10-19-14)21-7-4-12(17)16(9-21)5-3-6-16/h8,10,12H,2-7,9,17H2,1H3,(H,18,19,20)
InChIKeyNFXKJVRIWZFHMH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.23
Rot. Bonds2

About 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine

6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine (PubChem CID 167944379) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine.

Molecular Properties

Compound Name6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine
PubChem CID167944379
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine
SMILESCCc1c[nH]c2ncnc(N3CCC(N)C4(CCC4)C3)c12
InChIInChI=1S/C16H23N5/c1-2-11-8-18-14-13(11)15(20-10-19-14)21-7-4-12(17)16(9-21)5-3-6-16/h8,10,12H,2-7,9,17H2,1H3,(H,18,19,20)
InChIKeyNFXKJVRIWZFHMH-UHFFFAOYSA-N
XLogP2.23
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine with MolForge

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Related Compounds

5-ethyl-4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167907366
4-cyclobutyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 167770192
4-cyclohexyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ol
CID 167879818
3-cyclopropyl-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
CID 167819507
5-ethyl-4-[4-(methoxymethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167867661
2-[1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 167813431
N-[[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl]cyclopentanecarboxamide
CID 69237605
4-(2,5-dihydropyrrol-1-yl)-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 167791688
5-ethyl-4-(3-methoxy-3-methylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167797899
5-ethyl-4-(3-propan-2-ylazetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 167944927
methyl 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 167845501
1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-3-ol
CID 167868077

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine?
The IUPAC name of 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine (CID 167944379) is 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine.
What is the SMILES notation for 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine?
The canonical SMILES for 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine is CCc1c[nH]c2ncnc(N3CCC(N)C4(CCC4)C3)c12.
What is the InChIKey of 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine?
The InChIKey is NFXKJVRIWZFHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-11-8-18-14-13(11)15(20-10-19-14)21-7-4-12(17)16(9-21)5-3-6-16/h8,10,12H,2-7,9,17H2,1H3,(H,18,19,20).
What are the key properties of 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine?
6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine has a molecular weight of 285.39 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-9-amine is sourced from PubChem (CID 167944379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).