[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone

C18H22N6O — CID 163314059

IUPAC[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccnnc3)C1)CC2
InChIInChI=1S/C18H22N6O/c1-23(2)17-19-10-13-4-7-18(15(13)22-17)6-3-9-24(12-18)16(25)14-5-8-20-21-11-14/h5,8,10-11H,3-4,6-7,9,12H2,1-2H3
InChIKeyZOTUNQNZKRYXJI-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.45
Rot. Bonds2

About [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone (PubChem CID 163314059) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
PubChem CID163314059
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccnnc3)C1)CC2
InChIInChI=1S/C18H22N6O/c1-23(2)17-19-10-13-4-7-18(15(13)22-17)6-3-9-24(12-18)16(25)14-5-8-20-21-11-14/h5,8,10-11H,3-4,6-7,9,12H2,1-2H3
InChIKeyZOTUNQNZKRYXJI-UHFFFAOYSA-N
XLogP1.45
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone with MolForge

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Related Compounds

(4-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 135090739
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-quinolin-6-ylmethanone
CID 135108033
(2-chlorophenyl)-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]methanone
CID 163317679
4-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-6-methyl-1H-pyridin-2-one
CID 135090181
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-hydroxycyclopentyl)methanone
CID 163304934
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 163312876
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 135096020
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-[1-(hydroxymethyl)cyclopropyl]methanone
CID 164698444
5-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1H-pyrimidin-6-one
CID 164692530
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 163318268
N-[2-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-oxoethyl]acetamide
CID 135111986
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(1-methylindazol-3-yl)methanone
CID 135087267

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone (CID 163314059) is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)c3ccnnc3)C1)CC2.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone?
The InChIKey is ZOTUNQNZKRYXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23(2)17-19-10-13-4-7-18(15(13)22-17)6-3-9-24(12-18)16(25)14-5-8-20-21-11-14/h5,8,10-11H,3-4,6-7,9,12H2,1-2H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone?
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone has a molecular weight of 338.42 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 163314059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).