N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine

C20H25N5O2 — CID 139709496

IUPACN-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine
SMILESCOc1ccc(CC(C)Nc2ncnc3nc[nH]c23)cc1OC1CCCC1
InChIInChI=1S/C20H25N5O2/c1-13(25-20-18-19(22-11-21-18)23-12-24-20)9-14-7-8-16(26-2)17(10-14)27-15-5-3-4-6-15/h7-8,10-13,15H,3-6,9H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyGCAQSWYNGMUQHY-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.73
Rot. Bonds7

About N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine

N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine (PubChem CID 139709496) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine
PubChem CID139709496
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine
SMILESCOc1ccc(CC(C)Nc2ncnc3nc[nH]c23)cc1OC1CCCC1
InChIInChI=1S/C20H25N5O2/c1-13(25-20-18-19(22-11-21-18)23-12-24-20)9-14-7-8-16(26-2)17(10-14)27-15-5-3-4-6-15/h7-8,10-13,15H,3-6,9H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyGCAQSWYNGMUQHY-UHFFFAOYSA-N
XLogP3.73
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine?
The IUPAC name of N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine (CID 139709496) is N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine.
What is the SMILES notation for N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine?
The canonical SMILES for N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine is COc1ccc(CC(C)Nc2ncnc3nc[nH]c23)cc1OC1CCCC1.
What is the InChIKey of N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine?
The InChIKey is GCAQSWYNGMUQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13(25-20-18-19(22-11-21-18)23-12-24-20)9-14-7-8-16(26-2)17(10-14)27-15-5-3-4-6-15/h7-8,10-13,15H,3-6,9H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine?
N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine has a molecular weight of 367.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopentyloxy-4-methoxyphenyl)propan-2-yl]-7H-purin-6-amine is sourced from PubChem (CID 139709496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).