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

C18H26N4O2 — CID 135092785

IUPAC[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)C3(C)COC3)C1)CC2
InChIInChI=1S/C18H26N4O2/c1-17(11-24-12-17)15(23)22-8-4-6-18(10-22)7-5-13-9-19-16(21(2)3)20-14(13)18/h9H,4-8,10-12H2,1-3H3
InChIKeyOJKLGOUIEGLVDK-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.39
Rot. Bonds2

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

[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone (PubChem CID 135092785) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone
PubChem CID135092785
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone
SMILESCN(C)c1ncc2c(n1)C1(CCCN(C(=O)C3(C)COC3)C1)CC2
InChIInChI=1S/C18H26N4O2/c1-17(11-24-12-17)15(23)22-8-4-6-18(10-22)7-5-13-9-19-16(21(2)3)20-14(13)18/h9H,4-8,10-12H2,1-3H3
InChIKeyOJKLGOUIEGLVDK-UHFFFAOYSA-N
XLogP1.39
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone?
The IUPAC name of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone (CID 135092785) is [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone?
The canonical SMILES for [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone is CN(C)c1ncc2c(n1)C1(CCCN(C(=O)C3(C)COC3)C1)CC2.
What is the InChIKey of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone?
The InChIKey is OJKLGOUIEGLVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-17(11-24-12-17)15(23)22-8-4-6-18(10-22)7-5-13-9-19-16(21(2)3)20-14(13)18/h9H,4-8,10-12H2,1-3H3.
What are the key properties of [2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone?
[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-(3-methyloxetan-3-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]-(3-methyloxetan-3-yl)methanone is sourced from PubChem (CID 135092785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).