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

C17H22N8O2 — CID 25255662

IUPAC5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine
SMILESCOCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H22N8O2/c1-11(9-26-2)25-10-21-14-13(12-7-19-16(18)20-8-12)22-17(23-15(14)25)24-3-5-27-6-4-24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyGXWXOSNJLLGBEH-UHFFFAOYSA-N
MW370.42 g/mol
LogP0.91
Rot. Bonds5

About 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 (PubChem CID 25255662) 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]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine
PubChem CID25255662
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine
SMILESCOCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C17H22N8O2/c1-11(9-26-2)25-10-21-14-13(12-7-19-16(18)20-8-12)22-17(23-15(14)25)24-3-5-27-6-4-24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20)
InChIKeyGXWXOSNJLLGBEH-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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Frequently Asked Questions

What is the IUPAC name of 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine?
The IUPAC name of 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine (CID 25255662) is 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine is COCC(C)n1cnc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrimidin-2-amine?
The InChIKey is GXWXOSNJLLGBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-11(9-26-2)25-10-21-14-13(12-7-19-16(18)20-8-12)22-17(23-15(14)25)24-3-5-27-6-4-24/h7-8,10-11H,3-6,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 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 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]pyrimidin-2-amine is sourced from PubChem (CID 25255662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).