2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine

C17H25ClN6O — CID 146140302

IUPAC2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine
SMILESCOC1CCN(C2(CNc3nc(Cl)nc4nc[nH]c34)CCCC2)CC1
InChIInChI=1S/C17H25ClN6O/c1-25-12-4-8-24(9-5-12)17(6-2-3-7-17)10-19-14-13-15(21-11-20-13)23-16(18)22-14/h11-12H,2-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyGSFUOTRDCHUYRD-UHFFFAOYSA-N
MW364.88 g/mol
LogP2.84
Rot. Bonds5

About 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine

2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine (PubChem CID 146140302) has the molecular formula C17H25ClN6O and a molecular weight of 364.88 g/mol. Its IUPAC name is 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine
PubChem CID146140302
Molecular FormulaC17H25ClN6O
Molecular Weight364.88 g/mol
Exact Mass364.18
IUPAC Name2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine
SMILESCOC1CCN(C2(CNc3nc(Cl)nc4nc[nH]c34)CCCC2)CC1
InChIInChI=1S/C17H25ClN6O/c1-25-12-4-8-24(9-5-12)17(6-2-3-7-17)10-19-14-13-15(21-11-20-13)23-16(18)22-14/h11-12H,2-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyGSFUOTRDCHUYRD-UHFFFAOYSA-N
XLogP2.84
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine (CID 146140302) is 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine is COC1CCN(C2(CNc3nc(Cl)nc4nc[nH]c34)CCCC2)CC1.
What is the InChIKey of 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine?
The InChIKey is GSFUOTRDCHUYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN6O/c1-25-12-4-8-24(9-5-12)17(6-2-3-7-17)10-19-14-13-15(21-11-20-13)23-16(18)22-14/h11-12H,2-10H2,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine?
2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine has a molecular weight of 364.88 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-(4-methoxypiperidin-1-yl)cyclopentyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 146140302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).