4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine

C14H20N6O2 — CID 163441360

IUPAC4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine
SMILESCn1cnc2nc(N3CCOCC3)nc(N3CCOCC3)c21
InChIInChI=1S/C14H20N6O2/c1-18-10-15-12-11(18)13(19-2-6-21-7-3-19)17-14(16-12)20-4-8-22-9-5-20/h10H,2-9H2,1H3
InChIKeyAYUNIUFEFFTDER-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.04
Rot. Bonds2

About 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine

4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine (PubChem CID 163441360) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine.

Molecular Properties

Compound Name4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine
PubChem CID163441360
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine
SMILESCn1cnc2nc(N3CCOCC3)nc(N3CCOCC3)c21
InChIInChI=1S/C14H20N6O2/c1-18-10-15-12-11(18)13(19-2-6-21-7-3-19)17-14(16-12)20-4-8-22-9-5-20/h10H,2-9H2,1H3
InChIKeyAYUNIUFEFFTDER-UHFFFAOYSA-N
XLogP0.04
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-7-methyl-6-pyrrolidin-1-ylpurine;ethane
CID 142498294
(3R)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine
CID 58222480
(3S)-4-(2-chloro-7-methylpurin-6-yl)-3-methylmorpholine
CID 58222500
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine
CID 76707359
6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-7-methylpurine
CID 154853588
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-[5-fluoro-4-[4-(4-methylphenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 58320503
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
4-[6,7-dimethyl-4-(6-methyl-3-pyridinyl)pteridin-2-yl]morpholine
CID 157045468
tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane
CID 141284313
4-(3,6-dimethyl-2-pyridinyl)morpholine
CID 135214290

Frequently Asked Questions

What is the IUPAC name of 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine?
The IUPAC name of 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine (CID 163441360) is 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine.
What is the SMILES notation for 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine?
The canonical SMILES for 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine is Cn1cnc2nc(N3CCOCC3)nc(N3CCOCC3)c21.
What is the InChIKey of 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine?
The InChIKey is AYUNIUFEFFTDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-18-10-15-12-11(18)13(19-2-6-21-7-3-19)17-14(16-12)20-4-8-22-9-5-20/h10H,2-9H2,1H3.
What are the key properties of 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine?
4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine has a molecular weight of 304.35 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methyl-2-morpholin-4-ylpurin-6-yl)morpholine is sourced from PubChem (CID 163441360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).