2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one

C14H17N7O — CID 169086803

IUPAC2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one
SMILESNc1cc(Nc2cc3n(n2)C2(CCCCC2)NC3=O)ncn1
InChIInChI=1S/C14H17N7O/c15-10-7-11(17-8-16-10)18-12-6-9-13(22)19-14(21(9)20-12)4-2-1-3-5-14/h6-8H,1-5H2,(H,19,22)(H3,15,16,17,18,20)
InChIKeyZPSXTUATGHDIJC-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.36
Rot. Bonds2

About 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one

2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one (PubChem CID 169086803) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one
PubChem CID169086803
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one
SMILESNc1cc(Nc2cc3n(n2)C2(CCCCC2)NC3=O)ncn1
InChIInChI=1S/C14H17N7O/c15-10-7-11(17-8-16-10)18-12-6-9-13(22)19-14(21(9)20-12)4-2-1-3-5-14/h6-8H,1-5H2,(H,19,22)(H3,15,16,17,18,20)
InChIKeyZPSXTUATGHDIJC-UHFFFAOYSA-N
XLogP1.36
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 130444088
CID 130444088
CID 166460731
CID 166460731
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-thieno[2,3-c]pyrrole-4,4'-piperidine]-6-one
CID 169086924
CID 167457399
CID 167457399
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
8-chloro-6-[(6-methylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 118598712
N-(6-aminopyrimidin-4-yl)cyclopropanecarboxamide;6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1,5-dione;N-[6-[(8-chloro-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-6-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 163687140
6-[(6-amino-1-hydroxypyrimidin-1-ium-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-[(6-amino-1-hydroxypyrimidin-4-ylidene)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;6-[(6-aminopyrimidin-4-yl)amino]-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 158412364
CID 167457384
CID 167457384
6-[(6-aminopyrimidin-4-yl)-methylamino]-8-chloro-5-sulfanylidenespiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclopentane]-1-one
CID 134382151
6-[(6-aminopyrimidin-4-yl)amino]-8-methyl-1'-propylspiro[2H-imidazo[1,5-a]pyridine-3,7'-cycloheptene]-1,5-dione
CID 162740187

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one?
The IUPAC name of 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one (CID 169086803) is 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one.
What is the SMILES notation for 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one?
The canonical SMILES for 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one is Nc1cc(Nc2cc3n(n2)C2(CCCCC2)NC3=O)ncn1.
What is the InChIKey of 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one?
The InChIKey is ZPSXTUATGHDIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c15-10-7-11(17-8-16-10)18-12-6-9-13(22)19-14(21(9)20-12)4-2-1-3-5-14/h6-8H,1-5H2,(H,19,22)(H3,15,16,17,18,20).
What are the key properties of 2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one?
2-[(6-aminopyrimidin-4-yl)amino]spiro[5H-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one has a molecular weight of 299.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 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-imidazo[5,1-e]pyrazole-6,1'-cyclohexane]-4-one is sourced from PubChem (CID 169086803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).