2-chloro-9-(oxan-4-yl)-7,8-dihydropurine

C10H13ClN4O — CID 141313293

IUPAC2-chloro-9-(oxan-4-yl)-7,8-dihydropurine
SMILESClc1ncc2c(n1)N(C1CCOCC1)CN2
InChIInChI=1S/C10H13ClN4O/c11-10-12-5-8-9(14-10)15(6-13-8)7-1-3-16-4-2-7/h5,7,13H,1-4,6H2
InChIKeyXEMLGHCKZFVAJU-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.50
Rot. Bonds1

About 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine

2-chloro-9-(oxan-4-yl)-7,8-dihydropurine (PubChem CID 141313293) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine.

Molecular Properties

Compound Name2-chloro-9-(oxan-4-yl)-7,8-dihydropurine
PubChem CID141313293
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name2-chloro-9-(oxan-4-yl)-7,8-dihydropurine
SMILESClc1ncc2c(n1)N(C1CCOCC1)CN2
InChIInChI=1S/C10H13ClN4O/c11-10-12-5-8-9(14-10)15(6-13-8)7-1-3-16-4-2-7/h5,7,13H,1-4,6H2
InChIKeyXEMLGHCKZFVAJU-UHFFFAOYSA-N
XLogP1.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-b]pyrazine
CID 141313311
2-chloro-9-cyclopentyl-7,7-dimethyl-5,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one
CID 58154012
2-chloro-8-methyl-6,7-dihydro-5H-pteridine
CID 55252657
(7R)-2-chloro-7-ethyl-8-(oxan-4-yl)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
CID 58405314
(7R)-2-chloro-7-ethyl-5-methyl-8-(oxan-4-yl)-7H-pteridin-6-one
CID 58405475
6-chloro-1-(oxan-4-yl)-3-(trifluoromethyl)pyrazolo[3,4-d]pyrimidine
CID 162716275
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
4-chloro-1-(oxan-4-yl)pyrazole
CID 84732827
7-chloro-4-ethyl-1-methyl-5-(oxan-4-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223314
2-(chloromethyl)-3-(oxan-4-yl)-1,2-dihydroimidazo[4,5-c]pyridine
CID 169090326
2-chloro-8-methylspiro[6H-pyrimido[5,4-b][1,4]oxazine-7,4'-oxane]
CID 118246408
2-chloro-7-methyl-9-[(3R)-oxan-3-yl]-8H-purine
CID 135151358

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine?
The IUPAC name of 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine (CID 141313293) is 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine.
What is the SMILES notation for 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine?
The canonical SMILES for 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine is Clc1ncc2c(n1)N(C1CCOCC1)CN2.
What is the InChIKey of 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine?
The InChIKey is XEMLGHCKZFVAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-10-12-5-8-9(14-10)15(6-13-8)7-1-3-16-4-2-7/h5,7,13H,1-4,6H2.
What are the key properties of 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine?
2-chloro-9-(oxan-4-yl)-7,8-dihydropurine has a molecular weight of 240.69 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(oxan-4-yl)-7,8-dihydropurine is sourced from PubChem (CID 141313293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).