2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one

C14H16N6OS — CID 169086924

IUPAC2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one
SMILESNc1cc(Nc2cc3c(s2)C(=O)NC32CCNCC2)ncn1
InChIInChI=1S/C14H16N6OS/c15-9-6-10(18-7-17-9)19-11-5-8-12(22-11)13(21)20-14(8)1-3-16-4-2-14/h5-7,16H,1-4H2,(H,20,21)(H3,15,17,18,19)
InChIKeyOPCIUFPDZTXBKC-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.19
Rot. Bonds2

About 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one

2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one (PubChem CID 169086924) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one.

Molecular Properties

Compound Name2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one
PubChem CID169086924
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one
SMILESNc1cc(Nc2cc3c(s2)C(=O)NC32CCNCC2)ncn1
InChIInChI=1S/C14H16N6OS/c15-9-6-10(18-7-17-9)19-11-5-8-12(22-11)13(21)20-14(8)1-3-16-4-2-14/h5-7,16H,1-4H2,(H,20,21)(H3,15,17,18,19)
InChIKeyOPCIUFPDZTXBKC-UHFFFAOYSA-N
XLogP1.19
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one with MolForge

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Related Compounds

1-methyl-3-[6-[(6-oxospiro[5H-thieno[2,3-c]pyrrole-4,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]urea
CID 169086862
6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598796
2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one
CID 169086803
2-[[7-(azetidine-1-carbonyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]spiro[5H-thieno[2,3-c]pyrrole-4,1'-cyclohexane]-6-one
CID 169086865
CID 130444088
CID 130444088
CID 167457399
CID 167457399
2-[[7-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]spiro[5H-thieno[2,3-c]pyrrole-4,1'-cyclohexane]-6-one
CID 169086912
5-[(6-amino-5-methylpyrimidin-4-yl)amino]-7-fluorospiro[2H-isoindole-3,1'-cyclohexane]-1-one
CID 129071309
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-2',2'-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,3'-oxolane]-1,5-dione
CID 118598961
6-chlorospiro[2H-isoindole-3,4'-piperidine]-1-one
CID 84727449
6-[(6-aminopyrimidin-4-yl)amino]-8-chloro-4',4'-difluorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118598654
CID 166460731
CID 166460731

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one?
The IUPAC name of 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one (CID 169086924) is 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one.
What is the SMILES notation for 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one?
The canonical SMILES for 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one is Nc1cc(Nc2cc3c(s2)C(=O)NC32CCNCC2)ncn1.
What is the InChIKey of 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one?
The InChIKey is OPCIUFPDZTXBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c15-9-6-10(18-7-17-9)19-11-5-8-12(22-11)13(21)20-14(8)1-3-16-4-2-14/h5-7,16H,1-4H2,(H,20,21)(H3,15,17,18,19).
What are the key properties of 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one?
2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one has a molecular weight of 316.39 g/mol, XLogP of 1.19, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one is sourced from PubChem (CID 169086924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).