2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol

C13H16ClN5O — CID 164568760

IUPAC2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol
SMILESCN1C2=NCC3(CCC(O)CC3)N2c2nc(Cl)ncc21
InChIInChI=1S/C13H16ClN5O/c1-18-9-6-15-11(14)17-10(9)19-12(18)16-7-13(19)4-2-8(20)3-5-13/h6,8,20H,2-5,7H2,1H3
InChIKeyAPACMJUIWXJDCH-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.43
Rot. Bonds

About 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol

2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol (PubChem CID 164568760) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol.

Molecular Properties

Compound Name2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol
PubChem CID164568760
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol
SMILESCN1C2=NCC3(CCC(O)CC3)N2c2nc(Cl)ncc21
InChIInChI=1S/C13H16ClN5O/c1-18-9-6-15-11(14)17-10(9)19-12(18)16-7-13(19)4-2-8(20)3-5-13/h6,8,20H,2-5,7H2,1H3
InChIKeyAPACMJUIWXJDCH-UHFFFAOYSA-N
XLogP1.43
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]
CID 164568769
2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-thiane] 1',1'-dioxide
CID 167163650
2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine
CID 123734885
(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 91827947
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
2-chlorospiro[6,8-dihydro-5H-imidazo[2,1-h]pteridine-9,1'-cyclohexane]
CID 138598186
5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)spiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]-2-amine
CID 164568765
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
5-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1',1'-dioxospiro[7H-purino[9,8-a]imidazole-8,4'-thiane]-2-amine
CID 167163686
2'-chloro-1-hydroxy-1,5'-dimethylspiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362927
(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405336
(7R)-2-chloro-7-ethyl-5-methyl-8-[1-(2-methylpropyl)piperidin-4-yl]-7H-pteridin-6-one
CID 174674584

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol?
The IUPAC name of 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol (CID 164568760) is 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol.
What is the SMILES notation for 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol?
The canonical SMILES for 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol is CN1C2=NCC3(CCC(O)CC3)N2c2nc(Cl)ncc21.
What is the InChIKey of 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol?
The InChIKey is APACMJUIWXJDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-18-9-6-15-11(14)17-10(9)19-12(18)16-7-13(19)4-2-8(20)3-5-13/h6,8,20H,2-5,7H2,1H3.
What are the key properties of 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol?
2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol has a molecular weight of 293.76 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol is sourced from PubChem (CID 164568760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).