3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole

C13H14ClN5O — CID 156894904

IUPAC3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole
SMILESCc1cnc2n(C3CCOCC3)c3nc(Cl)ncc3n12
InChIInChI=1S/C13H14ClN5O/c1-8-6-16-13-18(8)10-7-15-12(14)17-11(10)19(13)9-2-4-20-5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyCTCPZHLXODNUHX-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.39
Rot. Bonds1

About 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole

3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole (PubChem CID 156894904) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole.

Molecular Properties

Compound Name3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole
PubChem CID156894904
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole
SMILESCc1cnc2n(C3CCOCC3)c3nc(Cl)ncc3n12
InChIInChI=1S/C13H14ClN5O/c1-8-6-16-13-18(8)10-7-15-12(14)17-11(10)19(13)9-2-4-20-5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyCTCPZHLXODNUHX-UHFFFAOYSA-N
XLogP2.39
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole 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-chloro-9-(oxan-4-yl)-8-oxopurin-7-yl]acetonitrile
CID 162680307
10-chloro-7-(oxan-4-yl)-5-thia-4,7,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),3,8,10-pentaene
CID 156894891
2-chloro-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
CID 84819779
2-chloro-7-methyl-9-(2-oxaspiro[3.5]nonan-7-yl)purin-8-one
CID 156565107
2-chloro-7-methyl-9-[(7R)-4-oxaspiro[2.5]octan-7-yl]purin-8-one
CID 164544813
6-chloro-1-(oxan-4-yl)-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 162716275
2-(2-chloro-7-methyl-8-oxopurin-9-yl)oxane-4-carbonitrile
CID 175688499
2-chloro-9-(oxan-4-yl)-7,8-dihydropurine
CID 141313293
6-methyl-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 79300760
2-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 175812147
7-chloro-4-ethyl-1-methyl-5-(oxan-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223314
5-chloro-1-(oxan-4-yl)pyrazolo[3,4-c]pyridine
CID 121416628

Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole?
The IUPAC name of 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole (CID 156894904) is 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole.
What is the SMILES notation for 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole?
The canonical SMILES for 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole is Cc1cnc2n(C3CCOCC3)c3nc(Cl)ncc3n12.
What is the InChIKey of 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole?
The InChIKey is CTCPZHLXODNUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-8-6-16-13-18(8)10-7-15-12(14)17-11(10)19(13)9-2-4-20-5-3-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole?
3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole has a molecular weight of 291.74 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methyl-5-(oxan-4-yl)purino[7,8-a]imidazole is sourced from PubChem (CID 156894904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).