2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine

C11H15ClN4O — CID 135151358

IUPAC2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine
SMILESCN1CN([C@@H]2CCCOC2)c2nc(Cl)ncc21
InChIInChI=1S/C11H15ClN4O/c1-15-7-16(8-3-2-4-17-6-8)10-9(15)5-13-11(12)14-10/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyUOFUGWQWSVWNDX-MRVPVSSYSA-N
MW254.72 g/mol
LogP1.52
Rot. Bonds1

About 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine

2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine (PubChem CID 135151358) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine.

Molecular Properties

Compound Name2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine
PubChem CID135151358
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine
SMILESCN1CN([C@@H]2CCCOC2)c2nc(Cl)ncc21
InChIInChI=1S/C11H15ClN4O/c1-15-7-16(8-3-2-4-17-6-8)10-9(15)5-13-11(12)14-10/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyUOFUGWQWSVWNDX-MRVPVSSYSA-N
XLogP1.52
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-6,7-dihydropteridine
CID 59765793
(7R)-2-chloro-7-ethyl-5-methyl-8-[(3R)-oxolan-3-yl]-7H-pteridin-6-one
CID 71603101
2-chloro-5-propan-2-yl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 86651570
(6aS)-2-chloro-5-methyl-6a,7,8,9-tetrahydropyrrolo[2,1-h]pteridin-6-one
CID 91827947
7-chloro-1-cyclopentyl-2-ethyl-4-methylpyrimido[5,4-e][1,2,4]triazin-3-one
CID 25241864
2-[4-[(2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl)methyl]phenyl]propan-2-ol
CID 88868223
2-chloro-8-cyclopentyl-5,7-dimethyl-6-methylidene-7H-pteridine
CID 123734885
(4R)-7-chloro-4-ethyl-5-(oxolan-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87423187
[1-[(6aR)-2-chloro-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[3,4-h]pteridin-5-yl]-4,4-dimethylpentan-3-yl]carbamic acid
CID 88868227
2-chloro-9-cyclopentyl-7-ethyl-7-fluoro-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one
CID 58214903
2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 79633134
4,5-diiodo-1-(oxan-3-yl)imidazole
CID 130508120

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine?
The IUPAC name of 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine (CID 135151358) is 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine.
What is the SMILES notation for 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine?
The canonical SMILES for 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine is CN1CN([C@@H]2CCCOC2)c2nc(Cl)ncc21.
What is the InChIKey of 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine?
The InChIKey is UOFUGWQWSVWNDX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c1-15-7-16(8-3-2-4-17-6-8)10-9(15)5-13-11(12)14-10/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine?
2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine has a molecular weight of 254.72 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine is sourced from PubChem (CID 135151358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).