6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one

C24H28N8O2 — CID 159807240

IUPAC6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one
SMILESCc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4cccc(CNC5CCNCC5)n4)cc3)c2n1
InChIInChI=1S/C24H28N8O2/c1-15-28-22(25)21-23(29-15)32(24(33)31-21)14-16-5-7-19(8-6-16)34-20-4-2-3-18(30-20)13-27-17-9-11-26-12-10-17/h2-8,17,26-27H,9-14H2,1H3,(H,31,33)(H2,25,28,29)
InChIKeyYRIRIOUOZMMERQ-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.09
Rot. Bonds7

About 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one

6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one (PubChem CID 159807240) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one.

Molecular Properties

Compound Name6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one
PubChem CID159807240
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC Name6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one
SMILESCc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4cccc(CNC5CCNCC5)n4)cc3)c2n1
InChIInChI=1S/C24H28N8O2/c1-15-28-22(25)21-23(29-15)32(24(33)31-21)14-16-5-7-19(8-6-16)34-20-4-2-3-18(30-20)13-27-17-9-11-26-12-10-17/h2-8,17,26-27H,9-14H2,1H3,(H,31,33)(H2,25,28,29)
InChIKeyYRIRIOUOZMMERQ-UHFFFAOYSA-N
XLogP2.09
TPSA135.77 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one with MolForge

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Related Compounds

6-amino-9-[[5-[(cyclopropylamino)methyl]pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one;6-amino-9-[[5-(hydroxymethyl)pyrazin-2-yl]methyl]-2-methyl-7H-purin-8-one
CID 161424740
3-[[6-[4-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenoxy]-2-pyridinyl]methylamino]propanenitrile
CID 154702413
6-amino-2-methyl-9-[[6-[4-(3-methylbutyl)phenoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 159913053
6-amino-2-methyl-9-[[3-[3-[2-(oxan-4-yl)ethyl]phenoxy]phenyl]methyl]-7H-purin-8-one
CID 158101687
6-amino-9-[(6-ethyl-3-pyridinyl)methyl]-2-methyl-7H-purin-8-one
CID 159958552
6-amino-9-[[3-fluoro-4-[4-[2-(oxan-4-yl)ethyl]phenoxy]phenyl]methyl]-2-methyl-7H-purin-8-one
CID 158747089
6-amino-2-methyl-9-[[6-(propylaminomethyl)-3-pyridinyl]methyl]-7H-purin-8-one
CID 159583005
6-amino-2-butoxy-9-[[5-[(cyclopropylamino)methyl]pyrazin-2-yl]methyl]-7H-purin-8-one
CID 156596133
6-amino-9-[[4-[[4-(4-aminophenyl)piperidin-1-yl]methyl]phenyl]methyl]-2-butoxy-7H-purin-8-one;4-piperidin-4-ylaniline
CID 165101084
9-[(4-methoxyphenyl)methyl]-2-methyl-8-oxo-7H-purine-6-carboxamide
CID 126468222
3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]-N-[[4-[[5-[(6-amino-2-methyl-8-oxo-7H-purin-9-yl)methyl]-2-pyridinyl]oxy]phenyl]methyl]-N-methylpropanamide
CID 159048868
N-[[6-(4-bromo-3-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 83134114

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one?
The IUPAC name of 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one (CID 159807240) is 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one.
What is the SMILES notation for 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one?
The canonical SMILES for 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one is Cc1nc(N)c2[nH]c(=O)n(Cc3ccc(Oc4cccc(CNC5CCNCC5)n4)cc3)c2n1.
What is the InChIKey of 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one?
The InChIKey is YRIRIOUOZMMERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-15-28-22(25)21-23(29-15)32(24(33)31-21)14-16-5-7-19(8-6-16)34-20-4-2-3-18(30-20)13-27-17-9-11-26-12-10-17/h2-8,17,26-27H,9-14H2,1H3,(H,31,33)(H2,25,28,29).
What are the key properties of 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one?
6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one has a molecular weight of 460.54 g/mol, XLogP of 2.09, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-9-[[4-[[6-[(piperidin-4-ylamino)methyl]-2-pyridinyl]oxy]phenyl]methyl]-7H-purin-8-one is sourced from PubChem (CID 159807240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).