5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

C17H22N8O2 — CID 44600625

IUPAC5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESCOCC(C)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H22N8O2/c1-11(9-26-2)25-10-21-15-14(12-7-20-13(18)8-19-12)22-17(23-16(15)25)24-3-5-27-6-4-24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,20)
InChIKeyWWDQUUDKMQZEOL-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.91
Rot. Bonds5

About 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine

5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (PubChem CID 44600625) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
PubChem CID44600625
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
SMILESCOCC(C)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H22N8O2/c1-11(9-26-2)25-10-21-15-14(12-7-20-13(18)8-19-12)22-17(23-16(15)25)24-3-5-27-6-4-24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,20)
InChIKeyWWDQUUDKMQZEOL-UHFFFAOYSA-N
XLogP0.91
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[9-(3-methylbutan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600460
5-[9-(2,2-dimethylpropyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 44600929
5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
CID 70224122
9-[(2R)-butan-2-yl]-2-morpholin-4-ylpurin-6-amine
CID 69098224
9-butan-2-yl-2,6-dichloropurine;5-(9-butan-2-yl-2-morpholin-4-ylpurin-6-yl)pyridin-2-amine
CID 158100431
5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]-4-methoxypyrimidin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;4-methoxy-5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine;5-[2-morpholin-4-yl-9-(1-phenylethyl)purin-6-yl]pyrimidin-2-amine
CID 161458998
5-(9-cyclobutyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(2,3-dihydro-1H-inden-1-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;methane;5-[9-(2-methylcyclohexyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 159421682
5-[9-[1-[[5-(9-cyclopentyl-2-morpholin-4-ylpurin-6-yl)-2-pyridinyl]amino]propyl]-2-morpholin-4-ylpurin-6-yl]pyridin-2-amine
CID 70271202
[4-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]ethyl]phenyl]-methoxymethanol
CID 143924348
5-[9-(1-cyclopentylethyl)-2-(5-methyl-6-oxa-3-azatricyclo[3.2.1.02,7]octan-3-yl)purin-6-yl]pyrazin-2-amine
CID 123967715
1-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]phenyl]ethanol
CID 67221249
6-(2-aminopyrimidin-5-yl)-9-butan-2-yl-2-morpholin-4-yl-N-propan-2-ylpurin-8-amine
CID 46937823

Frequently Asked Questions

What is the IUPAC name of 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The IUPAC name of 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine (CID 44600625) is 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The canonical SMILES for 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is COCC(C)n1cnc2c(-c3cnc(N)cn3)nc(N3CCOCC3)nc21.
What is the InChIKey of 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
The InChIKey is WWDQUUDKMQZEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-11(9-26-2)25-10-21-15-14(12-7-20-13(18)8-19-12)22-17(23-16(15)25)24-3-5-27-6-4-24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,20).
What are the key properties of 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine?
5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine has a molecular weight of 370.42 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine is sourced from PubChem (CID 44600625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).