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

C16H22N4O — CID 72870314

IUPAC2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc2c(c(N3CCC4(CCCNC4=O)C3)n1)CCC2
InChIInChI=1S/C16H22N4O/c1-11-18-13-5-2-4-12(13)14(19-11)20-9-7-16(10-20)6-3-8-17-15(16)21/h2-10H2,1H3,(H,17,21)
InChIKeyCCPRWIYWCLITPL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.38
Rot. Bonds1

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

2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72870314) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72870314
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1nc2c(c(N3CCC4(CCCNC4=O)C3)n1)CCC2
InChIInChI=1S/C16H22N4O/c1-11-18-13-5-2-4-12(13)14(19-11)20-9-7-16(10-20)6-3-8-17-15(16)21/h2-10H2,1H3,(H,17,21)
InChIKeyCCPRWIYWCLITPL-UHFFFAOYSA-N
XLogP1.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72870314) is 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 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1nc2c(c(N3CCC4(CCCNC4=O)C3)n1)CCC2.
What is the InChIKey of 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is CCPRWIYWCLITPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-18-13-5-2-4-12(13)14(19-11)20-9-7-16(10-20)6-3-8-17-15(16)21/h2-10H2,1H3,(H,17,21).
What are the key properties of 2-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
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 286.38 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 72870314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).