5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one

C13H18N4O — CID 64669197

IUPAC5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncnc3c2CCC3)CCC1=O
InChIInChI=1S/C13H18N4O/c1-17-7-9(5-6-12(17)18)16-13-10-3-2-4-11(10)14-8-15-13/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyGJMAPCOCCLUKKR-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.00
Rot. Bonds2

About 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one

5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one (PubChem CID 64669197) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
PubChem CID64669197
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncnc3c2CCC3)CCC1=O
InChIInChI=1S/C13H18N4O/c1-17-7-9(5-6-12(17)18)16-13-10-3-2-4-11(10)14-8-15-13/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyGJMAPCOCCLUKKR-UHFFFAOYSA-N
XLogP1.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one (CID 64669197) is 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one is CN1CC(Nc2ncnc3c2CCC3)CCC1=O.
What is the InChIKey of 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one?
The InChIKey is GJMAPCOCCLUKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-7-9(5-6-12(17)18)16-13-10-3-2-4-11(10)14-8-15-13/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one?
5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 64669197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).