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

C15H19F3N4O — CID 135111776

IUPAC1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one
SMILESNc1ncc2c(n1)C1(CCCN(C(=O)CCC(F)(F)F)C1)CC2
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)6-3-11(23)22-7-1-4-14(9-22)5-2-10-8-20-13(19)21-12(10)14/h8H,1-7,9H2,(H2,19,20,21)
InChIKeyWSTVAIAZYCXAJZ-UHFFFAOYSA-N
MW328.34 g/mol
LogP2.21
Rot. Bonds2

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

1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 135111776) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one
PubChem CID135111776
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one
SMILESNc1ncc2c(n1)C1(CCCN(C(=O)CCC(F)(F)F)C1)CC2
InChIInChI=1S/C15H19F3N4O/c16-15(17,18)6-3-11(23)22-7-1-4-14(9-22)5-2-10-8-20-13(19)21-12(10)14/h8H,1-7,9H2,(H2,19,20,21)
InChIKeyWSTVAIAZYCXAJZ-UHFFFAOYSA-N
XLogP2.21
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one 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 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one (CID 135111776) is 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one is Nc1ncc2c(n1)C1(CCCN(C(=O)CCC(F)(F)F)C1)CC2.
What is the InChIKey of 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is WSTVAIAZYCXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c16-15(17,18)6-3-11(23)22-7-1-4-14(9-22)5-2-10-8-20-13(19)21-12(10)14/h8H,1-7,9H2,(H2,19,20,21).
What are the key properties of 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one?
1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 328.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 135111776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).