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

C21H27N5O2 — CID 135087605

IUPAC3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)c(=O)n1C
InChIInChI=1S/C21H27N5O2/c1-14-6-7-16(18(27)25(14)4)19(28)26-11-5-9-21(13-26)10-8-15-12-22-20(24(2)3)23-17(15)21/h6-7,12H,5,8-11,13H2,1-4H3
InChIKeyNXNNCNNJMWQXJE-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.67
Rot. Bonds2

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

3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one (PubChem CID 135087605) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one
PubChem CID135087605
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one
SMILESCc1ccc(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)c(=O)n1C
InChIInChI=1S/C21H27N5O2/c1-14-6-7-16(18(27)25(14)4)19(28)26-11-5-9-21(13-26)10-8-15-12-22-20(24(2)3)23-17(15)21/h6-7,12H,5,8-11,13H2,1-4H3
InChIKeyNXNNCNNJMWQXJE-UHFFFAOYSA-N
XLogP1.67
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.67
H-Bond Donors ≤ 50
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]-1,6-dimethylpyridin-2-one?
The IUPAC name of 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one (CID 135087605) is 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one is Cc1ccc(C(=O)N2CCCC3(CCc4cnc(N(C)C)nc43)C2)c(=O)n1C.
What is the InChIKey of 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one?
The InChIKey is NXNNCNNJMWQXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-6-7-16(18(27)25(14)4)19(28)26-11-5-9-21(13-26)10-8-15-12-22-20(24(2)3)23-17(15)21/h6-7,12H,5,8-11,13H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one?
3-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl]-1,6-dimethylpyridin-2-one has a molecular weight of 381.48 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 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]-1,6-dimethylpyridin-2-one is sourced from PubChem (CID 135087605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).