2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

C19H26N6O2 — CID 175643087

IUPAC2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(CCN2CCOCC2)CCC12CCN(c1ncnc3cc[nH]c13)C2
InChIInChI=1S/C19H26N6O2/c26-18-19(2-5-24(18)8-7-23-9-11-27-12-10-23)3-6-25(13-19)17-16-15(1-4-20-16)21-14-22-17/h1,4,14,20H,2-3,5-13H2
InChIKeyLYEYFGXLSLIWAL-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.72
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one

2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643087) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175643087
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(CCN2CCOCC2)CCC12CCN(c1ncnc3cc[nH]c13)C2
InChIInChI=1S/C19H26N6O2/c26-18-19(2-5-24(18)8-7-23-9-11-27-12-10-23)3-6-25(13-19)17-16-15(1-4-20-16)21-14-22-17/h1,4,14,20H,2-3,5-13H2
InChIKeyLYEYFGXLSLIWAL-UHFFFAOYSA-N
XLogP0.72
TPSA77.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(7-methylthieno[3,2-d]pyrimidin-4-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175644945
2-(2-morpholin-4-ylethyl)-7-quinoxalin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 175645511
2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646163
8-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 138380182
4-[[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 138383680
7-(4-amino-5-fluoropyrimidin-2-yl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176502798
7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642547
formic acid;4-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine
CID 154919305
7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642802
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643514
4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 138378151
2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175644031

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175643087) is 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1N(CCN2CCOCC2)CCC12CCN(c1ncnc3cc[nH]c13)C2.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is LYEYFGXLSLIWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-18-19(2-5-24(18)8-7-23-9-11-27-12-10-23)3-6-25(13-19)17-16-15(1-4-20-16)21-14-22-17/h1,4,14,20H,2-3,5-13H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 370.46 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-7-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).