spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one

C11H16N4O — CID 140537745

IUPACspiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one
SMILESO=c1ccnc2n1CCC1(CCNCC1)N2
InChIInChI=1S/C11H16N4O/c16-9-1-5-13-10-14-11(4-8-15(9)10)2-6-12-7-3-11/h1,5,12H,2-4,6-8H2,(H,13,14)
InChIKeyIFYQRUGYGKUQER-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.18
Rot. Bonds

About spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one

spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one (PubChem CID 140537745) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one.

Molecular Properties

Compound Namespiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one
PubChem CID140537745
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Namespiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one
SMILESO=c1ccnc2n1CCC1(CCNCC1)N2
InChIInChI=1S/C11H16N4O/c16-9-1-5-13-10-14-11(4-8-15(9)10)2-6-12-7-3-11/h1,5,12H,2-4,6-8H2,(H,13,14)
InChIKeyIFYQRUGYGKUQER-UHFFFAOYSA-N
XLogP0.18
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one?
The IUPAC name of spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one (CID 140537745) is spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one.
What is the SMILES notation for spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one?
The canonical SMILES for spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one is O=c1ccnc2n1CCC1(CCNCC1)N2.
What is the InChIKey of spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one?
The InChIKey is IFYQRUGYGKUQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c16-9-1-5-13-10-14-11(4-8-15(9)10)2-6-12-7-3-11/h1,5,12H,2-4,6-8H2,(H,13,14).
What are the key properties of spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one?
spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one has a molecular weight of 220.28 g/mol, XLogP of 0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydro-1H-pyrimido[1,2-a]pyrimidine-2,4'-piperidine]-6-one is sourced from PubChem (CID 140537745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).