7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C19H28N4O2 — CID 72877804

IUPAC7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3nc(C)nc4c3CCC4)C2)C1=O
InChIInChI=1S/C19H28N4O2/c1-14-20-16-6-3-5-15(16)17(21-14)23-10-8-19(13-23)7-4-9-22(18(19)24)11-12-25-2/h3-13H2,1-2H3
InChIKeyXGDBMYLOTRANQZ-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.74
Rot. Bonds4

About 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72877804) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72877804
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(c3nc(C)nc4c3CCC4)C2)C1=O
InChIInChI=1S/C19H28N4O2/c1-14-20-16-6-3-5-15(16)17(21-14)23-10-8-19(13-23)7-4-9-22(18(19)24)11-12-25-2/h3-13H2,1-2H3
InChIKeyXGDBMYLOTRANQZ-UHFFFAOYSA-N
XLogP1.74
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72877804) is 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(c3nc(C)nc4c3CCC4)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XGDBMYLOTRANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-20-16-6-3-5-15(16)17(21-14)23-10-8-19(13-23)7-4-9-22(18(19)24)11-12-25-2/h3-13H2,1-2H3.
What are the key properties of 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 344.46 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72877804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).