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

C14H18ClN5O — CID 164568769

IUPAC2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]
SMILESCOC1CCC2(CC1)CN=C1N(C)c3cnc(Cl)nc3N12
InChIInChI=1S/C14H18ClN5O/c1-19-10-7-16-12(15)18-11(10)20-13(19)17-8-14(20)5-3-9(21-2)4-6-14/h7,9H,3-6,8H2,1-2H3
InChIKeyIMFKJGMQHLIATM-UHFFFAOYSA-N
MW307.79 g/mol
LogP2.08
Rot. Bonds1

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

2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane] (PubChem CID 164568769) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane].

Molecular Properties

Compound Name2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]
PubChem CID164568769
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]
SMILESCOC1CCC2(CC1)CN=C1N(C)c3cnc(Cl)nc3N12
InChIInChI=1S/C14H18ClN5O/c1-19-10-7-16-12(15)18-11(10)20-13(19)17-8-14(20)5-3-9(21-2)4-6-14/h7,9H,3-6,8H2,1-2H3
InChIKeyIMFKJGMQHLIATM-UHFFFAOYSA-N
XLogP2.08
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane] with MolForge

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Related Compounds

2-chloro-5-methylspiro[7H-purino[9,8-a]imidazole-8,4'-cyclohexane]-1'-ol
CID 164568760
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
2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 79075665
(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-bromo-2-chloro-4-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 103536606
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
(7R)-2-chloro-8-(cyclopropylmethyl)-7-ethyl-5-methyl-7H-pteridin-6-one
CID 58405336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]?
The IUPAC name of 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane] (CID 164568769) is 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane].
What is the SMILES notation for 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]?
The canonical SMILES for 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane] is COC1CCC2(CC1)CN=C1N(C)c3cnc(Cl)nc3N12.
What is the InChIKey of 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]?
The InChIKey is IMFKJGMQHLIATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-19-10-7-16-12(15)18-11(10)20-13(19)17-8-14(20)5-3-9(21-2)4-6-14/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane]?
2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane] has a molecular weight of 307.79 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4'-methoxy-5-methylspiro[7H-purino[9,8-a]imidazole-8,1'-cyclohexane] is sourced from PubChem (CID 164568769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).