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

C15H22N4O2 — CID 135090262

IUPAC1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)CO)C1)CC2
InChIInChI=1S/C15H22N4O2/c1-18(2)14-16-8-11-4-6-15(13(11)17-14)5-3-7-19(10-15)12(21)9-20/h8,20H,3-7,9-10H2,1-2H3
InChIKeyGVZRQGHWJQXSMI-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.34
Rot. Bonds2

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

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone (PubChem CID 135090262) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone
PubChem CID135090262
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)CO)C1)CC2
InChIInChI=1S/C15H22N4O2/c1-18(2)14-16-8-11-4-6-15(13(11)17-14)5-3-7-19(10-15)12(21)9-20/h8,20H,3-7,9-10H2,1-2H3
InChIKeyGVZRQGHWJQXSMI-UHFFFAOYSA-N
XLogP0.34
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone (CID 135090262) is 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)CO)C1)CC2.
What is the InChIKey of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone?
The InChIKey is GVZRQGHWJQXSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)14-16-8-11-4-6-15(13(11)17-14)5-3-7-19(10-15)12(21)9-20/h8,20H,3-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone?
1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone has a molecular weight of 290.37 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-hydroxyethanone is sourced from PubChem (CID 135090262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).