8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine

C17H27N5O3 — CID 76597297

IUPAC8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine
SMILESCCCC(C)Oc1nc(N)c2nc(OC)n(CCC3CCOC3)c2n1
InChIInChI=1S/C17H27N5O3/c1-4-5-11(2)25-16-20-14(18)13-15(21-16)22(17(19-13)23-3)8-6-12-7-9-24-10-12/h11-12H,4-10H2,1-3H3,(H2,18,20,21)
InChIKeyVOPWFAKNRIVGQP-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.41
Rot. Bonds8

About 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine

8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine (PubChem CID 76597297) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine.

Molecular Properties

Compound Name8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine
PubChem CID76597297
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine
SMILESCCCC(C)Oc1nc(N)c2nc(OC)n(CCC3CCOC3)c2n1
InChIInChI=1S/C17H27N5O3/c1-4-5-11(2)25-16-20-14(18)13-15(21-16)22(17(19-13)23-3)8-6-12-7-9-24-10-12/h11-12H,4-10H2,1-3H3,(H2,18,20,21)
InChIKeyVOPWFAKNRIVGQP-UHFFFAOYSA-N
XLogP2.41
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-methoxy-9-[3-(oxolan-2-ylmethylamino)propyl]-2-[(2S)-pentan-2-yl]oxypurin-6-amine
CID 67211502
6-amino-9-[3-(oxan-4-yl)propyl]-2-[(2R)-pentan-2-yl]oxy-7H-purin-8-one
CID 25024571
benzyl 3-[3-(6-amino-8-methoxy-2-pentan-2-yloxypurin-9-yl)propyl]piperidine-1-carboxylate
CID 76754639
4-amino-7-[4-(oxolan-3-yl)butyl]-2-[(2R)-pentan-2-yl]oxy-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58497539
(6-amino-8-methoxy-2-pentan-2-yloxypurin-9-yl) 2,2,2-trifluoroacetate
CID 67314392
6-amino-9-[5-(oxan-4-ylmethylamino)pentyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one
CID 44815650
benzyl 4-[2-(6-amino-2-butoxy-8-methoxypurin-9-yl)ethyl]piperidine-1-carboxylate
CID 58306071
[6-amino-8-methoxy-2-[(2S)-pentan-2-yl]oxypurin-9-yl]-[3-(2,2-dimethyloxan-4-yl)pyrrolidin-2-yl]methanone
CID 67314404
6-amino-9-[5-(oxan-4-ylamino)pentyl]-2-[(2S)-pentan-2-yl]oxy-7H-purin-8-one
CID 44623938
6-amino-2-(2-cyclopropylethoxy)-9-[2-(oxolan-3-yl)ethyl]-7H-purin-8-one
CID 25026355
2-cyclobutyloxy-8-methoxy-9-(4-piperidin-1-ylbutyl)purin-6-amine
CID 66727010
2-butoxy-9-[3-(4-ethylpiperazin-1-yl)propyl]-8-methoxypurin-6-amine
CID 58291008

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine?
The IUPAC name of 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine (CID 76597297) is 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine.
What is the SMILES notation for 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine?
The canonical SMILES for 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine is CCCC(C)Oc1nc(N)c2nc(OC)n(CCC3CCOC3)c2n1.
What is the InChIKey of 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine?
The InChIKey is VOPWFAKNRIVGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-4-5-11(2)25-16-20-14(18)13-15(21-16)22(17(19-13)23-3)8-6-12-7-9-24-10-12/h11-12H,4-10H2,1-3H3,(H2,18,20,21).
What are the key properties of 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine?
8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine has a molecular weight of 349.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-9-[2-(oxolan-3-yl)ethyl]-2-pentan-2-yloxypurin-6-amine is sourced from PubChem (CID 76597297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).