5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C17H24N4O — CID 167799843

IUPAC5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CCC4(CCOCC4)C3)c12
InChIInChI=1S/C17H24N4O/c1-2-12-10-18-15-14(12)16(20-11-19-15)21-13-3-4-17(9-13)5-7-22-8-6-17/h10-11,13H,2-9H2,1H3,(H2,18,19,20,21)
InChIKeyRHTJLPOUPGTWHN-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.28
Rot. Bonds3

About 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167799843) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167799843
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1c[nH]c2ncnc(NC3CCC4(CCOCC4)C3)c12
InChIInChI=1S/C17H24N4O/c1-2-12-10-18-15-14(12)16(20-11-19-15)21-13-3-4-17(9-13)5-7-22-8-6-17/h10-11,13H,2-9H2,1H3,(H2,18,19,20,21)
InChIKeyRHTJLPOUPGTWHN-UHFFFAOYSA-N
XLogP3.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167799843) is 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1c[nH]c2ncnc(NC3CCC4(CCOCC4)C3)c12.
What is the InChIKey of 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RHTJLPOUPGTWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-12-10-18-15-14(12)16(20-11-19-15)21-13-3-4-17(9-13)5-7-22-8-6-17/h10-11,13H,2-9H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 300.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(8-oxaspiro[4.5]decan-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167799843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).