3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one

C18H22N6O2 — CID 135090237

IUPAC3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ncc[nH]c3=O)C1)CC2
InChIInChI=1S/C18H22N6O2/c1-23(2)17-21-10-12-4-6-18(14(12)22-17)5-3-9-24(11-18)16(26)13-15(25)20-8-7-19-13/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,25)
InChIKeyPMZDWEFHCMROMP-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.75
Rot. Bonds2

About 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one

3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one (PubChem CID 135090237) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one
PubChem CID135090237
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ncc[nH]c3=O)C1)CC2
InChIInChI=1S/C18H22N6O2/c1-23(2)17-21-10-12-4-6-18(14(12)22-17)5-3-9-24(11-18)16(26)13-15(25)20-8-7-19-13/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,25)
InChIKeyPMZDWEFHCMROMP-UHFFFAOYSA-N
XLogP0.75
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one (CID 135090237) is 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ncc[nH]c3=O)C1)CC2.
What is the InChIKey of 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one?
The InChIKey is PMZDWEFHCMROMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-23(2)17-21-10-12-4-6-18(14(12)22-17)5-3-9-24(11-18)16(26)13-15(25)20-8-7-19-13/h7-8,10H,3-6,9,11H2,1-2H3,(H,20,25).
What are the key properties of 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one?
3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one has a molecular weight of 354.41 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrazin-2-one is sourced from PubChem (CID 135090237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).