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

C17H22N6O4S — CID 135114079

IUPAC5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c(=O)n(C)c1=O
InChIInChI=1S/C17H22N6O4S/c1-21-9-12(14(24)22(2)16(21)25)28(26,27)23-7-3-5-17(10-23)6-4-11-8-19-15(18)20-13(11)17/h8-9H,3-7,10H2,1-2H3,(H2,18,19,20)
InChIKeyQRSWFEXZHMDRFJ-UHFFFAOYSA-N
MW406.47 g/mol
LogP-0.88
Rot. Bonds2

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

5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 135114079) has the molecular formula C17H22N6O4S and a molecular weight of 406.47 g/mol. Its IUPAC name is 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID135114079
Molecular FormulaC17H22N6O4S
Molecular Weight406.47 g/mol
Exact Mass406.14
IUPAC Name5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c(=O)n(C)c1=O
InChIInChI=1S/C17H22N6O4S/c1-21-9-12(14(24)22(2)16(21)25)28(26,27)23-7-3-5-17(10-23)6-4-11-8-19-15(18)20-13(11)17/h8-9H,3-7,10H2,1-2H3,(H2,18,19,20)
InChIKeyQRSWFEXZHMDRFJ-UHFFFAOYSA-N
XLogP-0.88
TPSA133.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonylbenzoic acid
CID 135104277
N,N-dimethyl-1'-(2-methylphenyl)sulfonylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 163312114
5-(3-hydroxy-3-methylpyrrolidin-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 103871485
5-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 120777245
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-methylthiophen-2-yl)methanone
CID 135087912
2-hydroxy-5-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonylbenzoic acid
CID 164689057
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1,2-oxazol-5-yl)methanone
CID 163310590
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazol-5-yl)methanone
CID 163315511
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-imidazol-5-yl)methanone
CID 163315199
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(3-chlorothiophen-2-yl)methanone
CID 135087346
1'-[(2-amino-3-pyridinyl)methyl]spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135114667
1,3-dimethyl-5-[(5-oxo-1,4-diazepan-1-yl)sulfonyl]pyrimidine-2,4-dione
CID 60703229

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 135114079) is 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(S(=O)(=O)N2CCCC3(CCc4cnc(N)nc43)C2)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QRSWFEXZHMDRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4S/c1-21-9-12(14(24)22(2)16(21)25)28(26,27)23-7-3-5-17(10-23)6-4-11-8-19-15(18)20-13(11)17/h8-9H,3-7,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 406.47 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 135114079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).