3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one

C21H27N5O2 — CID 135092456

IUPAC3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c1=O
InChIInChI=1S/C21H27N5O2/c1-4-26-14(3)10-13(2)16(19(26)28)18(27)25-9-5-7-21(12-25)8-6-15-11-23-20(22)24-17(15)21/h10-11H,4-9,12H2,1-3H3,(H2,22,23,24)
InChIKeyKNLPGIINMVZDIG-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.98
Rot. Bonds2

About 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one

3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one (PubChem CID 135092456) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
PubChem CID135092456
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one
SMILESCCn1c(C)cc(C)c(C(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c1=O
InChIInChI=1S/C21H27N5O2/c1-4-26-14(3)10-13(2)16(19(26)28)18(27)25-9-5-7-21(12-25)8-6-15-11-23-20(22)24-17(15)21/h10-11H,4-9,12H2,1-3H3,(H2,22,23,24)
InChIKeyKNLPGIINMVZDIG-UHFFFAOYSA-N
XLogP1.98
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one (CID 135092456) is 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one is CCn1c(C)cc(C)c(C(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c1=O.
What is the InChIKey of 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
The InChIKey is KNLPGIINMVZDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-4-26-14(3)10-13(2)16(19(26)28)18(27)25-9-5-7-21(12-25)8-6-15-11-23-20(22)24-17(15)21/h10-11H,4-9,12H2,1-3H3,(H2,22,23,24).
What are the key properties of 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one?
3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one has a molecular weight of 381.48 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1-ethyl-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 135092456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).