6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine

C18H20ClN5O2 — CID 171816529

IUPAC6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine
SMILESCn1c(NCC2CCOC2)nc2c(OCc3ccc(Cl)cc3)ncnc21
InChIInChI=1S/C18H20ClN5O2/c1-24-16-15(23-18(24)20-8-13-6-7-25-9-13)17(22-11-21-16)26-10-12-2-4-14(19)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,20,23)
InChIKeyOPLSHJRCVZJABB-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.04
Rot. Bonds6

About 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine

6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine (PubChem CID 171816529) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine
PubChem CID171816529
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine
SMILESCn1c(NCC2CCOC2)nc2c(OCc3ccc(Cl)cc3)ncnc21
InChIInChI=1S/C18H20ClN5O2/c1-24-16-15(23-18(24)20-8-13-6-7-25-9-13)17(22-11-21-16)26-10-12-2-4-14(19)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,20,23)
InChIKeyOPLSHJRCVZJABB-UHFFFAOYSA-N
XLogP3.04
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
CID 62133287
6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 63728364
6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 62824708
6-chloro-N-(oxolan-3-ylmethyl)-5-propan-2-ylpyrimidin-4-amine
CID 55229705
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
5-chloro-2-methoxy-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 80758184
5-fluoro-6-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 103634945
(2R,3R,4S,5R)-2-[8-(cyclopentylamino)-6-[[4-(difluoromethoxy)phenyl]methoxy]purin-9-yl]-5-methyloxolane-3,4-diol
CID 174342882
4-chloro-2-(4-chlorophenyl)-5-[[(3S)-oxolan-3-yl]methylamino]pyridazin-3-one
CID 94415319
7-chloro-N-(oxolan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 62823828
6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 115474100

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine (CID 171816529) is 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine is Cn1c(NCC2CCOC2)nc2c(OCc3ccc(Cl)cc3)ncnc21.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine?
The InChIKey is OPLSHJRCVZJABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-24-16-15(23-18(24)20-8-13-6-7-25-9-13)17(22-11-21-16)26-10-12-2-4-14(19)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,20,23).
What are the key properties of 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine?
6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine has a molecular weight of 373.84 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxy]-9-methyl-N-(oxolan-3-ylmethyl)purin-8-amine is sourced from PubChem (CID 171816529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).