1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one

C24H25N7O2 — CID 159646523

IUPAC1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Cn2cnc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc32)cc1
InChIInChI=1S/C24H25N7O2/c1-2-19(32)17-5-3-16(4-6-17)14-31-15-27-21-23(30-9-11-33-12-10-30)28-22(29-24(21)31)18-7-8-20(25)26-13-18/h3-8,13,15H,2,9-12,14H2,1H3,(H2,25,26)
InChIKeyIPYLTCBQUMABIQ-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.95
Rot. Bonds6

About 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one

1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one (PubChem CID 159646523) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one
PubChem CID159646523
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Cn2cnc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc32)cc1
InChIInChI=1S/C24H25N7O2/c1-2-19(32)17-5-3-16(4-6-17)14-31-15-27-21-23(30-9-11-33-12-10-30)28-22(29-24(21)31)18-7-8-20(25)26-13-18/h3-8,13,15H,2,9-12,14H2,1H3,(H2,25,26)
InChIKeyIPYLTCBQUMABIQ-UHFFFAOYSA-N
XLogP2.95
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one with MolForge

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Related Compounds

1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]-2-hydroxyethanone
CID 159245169
7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one
CID 126580532
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
4-[9-ethyl-2-(6-methoxy-3-pyridinyl)purin-6-yl]morpholine
CID 123266985
1-hydroxy-7-[2-(6-methoxy-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]heptan-2-one
CID 126580553
5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
(E)-3-[4-[[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118374535
N-[4-[[2-(6-morpholin-4-yl-3-pyridinyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]phenyl]acetamide
CID 117080177
5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
CID 59333669
carbonic acid;N,N-ditert-butyl-5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]pyrimidine-2-carboxamide
CID 66666591
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-5-yl]-6-morpholin-4-ylpurin-9-yl]propanoic acid
CID 66909826

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one (CID 159646523) is 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one is CCC(=O)c1ccc(Cn2cnc3c(N4CCOCC4)nc(-c4ccc(N)nc4)nc32)cc1.
What is the InChIKey of 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one?
The InChIKey is IPYLTCBQUMABIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-2-19(32)17-5-3-16(4-6-17)14-31-15-27-21-23(30-9-11-33-12-10-30)28-22(29-24(21)31)18-7-8-20(25)26-13-18/h3-8,13,15H,2,9-12,14H2,1H3,(H2,25,26).
What are the key properties of 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one?
1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one has a molecular weight of 443.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one is sourced from PubChem (CID 159646523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).