6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine

C17H18ClN5O — CID 67446352

IUPAC6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine
SMILESCc1nc2ncnc(N3CCCC3COc3ccccc3Cl)c2[nH]1
InChIInChI=1S/C17H18ClN5O/c1-11-21-15-16(22-11)19-10-20-17(15)23-8-4-5-12(23)9-24-14-7-3-2-6-13(14)18/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,20,21,22)
InChIKeyFOOXJLYIFWKGST-UHFFFAOYSA-N
MW343.82 g/mol
LogP3.36
Rot. Bonds4

About 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine

6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine (PubChem CID 67446352) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine.

Molecular Properties

Compound Name6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine
PubChem CID67446352
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine
SMILESCc1nc2ncnc(N3CCCC3COc3ccccc3Cl)c2[nH]1
InChIInChI=1S/C17H18ClN5O/c1-11-21-15-16(22-11)19-10-20-17(15)23-8-4-5-12(23)9-24-14-7-3-2-6-13(14)18/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,20,21,22)
InChIKeyFOOXJLYIFWKGST-UHFFFAOYSA-N
XLogP3.36
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2~{r})-2-[(2-Methylphenoxy)methyl]pyrrolidin-1-Yl]-7~{h}-Purine
CID 16005070
(2R,3R,4S,5R)-2-[6-[[(1R,2R)-2-(2-chlorophenoxy)cyclopentyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 168285984
6-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 16005072
3-N-[9-[2-(4-chlorophenoxy)ethyl]purin-6-yl]benzene-1,3-diamine
CID 44570331
(2R,3S,4R)-2-[(2-chlorophenoxy)methyl]-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol
CID 46875602
6-[(2R)-2-[(3-fluorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 16005032
6-[(2R)-2-[(2,3-difluorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 16005033
4-[[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methoxy]benzonitrile
CID 16005035
6-[(2R)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-7H-purine
CID 16005036
7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-1H-imidazo[4,5-b]pyridine
CID 44553054
7-[(2R)-2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-[1,2,5]thiadiazolo[3,4-b]pyridine
CID 44553573
9-[2-(2-Chlorophenoxy)ethyl]purin-6-amine
CID 30470491

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine?
The IUPAC name of 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine (CID 67446352) is 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine.
What is the SMILES notation for 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine?
The canonical SMILES for 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine is Cc1nc2ncnc(N3CCCC3COc3ccccc3Cl)c2[nH]1.
What is the InChIKey of 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine?
The InChIKey is FOOXJLYIFWKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11-21-15-16(22-11)19-10-20-17(15)23-8-4-5-12(23)9-24-14-7-3-2-6-13(14)18/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,20,21,22).
What are the key properties of 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine?
6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine has a molecular weight of 343.82 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-chlorophenoxy)methyl]pyrrolidin-1-yl]-8-methyl-7H-purine is sourced from PubChem (CID 67446352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).