5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine

C21H28N8O2 — CID 46938046

IUPAC5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
SMILESCC(C)n1c(OC2CCCC2)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C21H28N8O2/c1-13(2)29-18-17(26-21(29)31-15-5-3-4-6-15)16(14-11-23-19(22)24-12-14)25-20(27-18)28-7-9-30-10-8-28/h11-13,15H,3-10H2,1-2H3,(H2,22,23,24)
InChIKeySGYUCZCJHZKRPD-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.60
Rot. Bonds5

About 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine

5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine (PubChem CID 46938046) has the molecular formula C21H28N8O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
PubChem CID46938046
Molecular FormulaC21H28N8O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
SMILESCC(C)n1c(OC2CCCC2)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21
InChIInChI=1S/C21H28N8O2/c1-13(2)29-18-17(26-21(29)31-15-5-3-4-6-15)16(14-11-23-19(22)24-12-14)25-20(27-18)28-7-9-30-10-8-28/h11-13,15H,3-10H2,1-2H3,(H2,22,23,24)
InChIKeySGYUCZCJHZKRPD-UHFFFAOYSA-N
XLogP2.60
TPSA117.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The IUPAC name of 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine (CID 46938046) is 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine is CC(C)n1c(OC2CCCC2)nc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21.
What is the InChIKey of 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
The InChIKey is SGYUCZCJHZKRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2/c1-13(2)29-18-17(26-21(29)31-15-5-3-4-6-15)16(14-11-23-19(22)24-12-14)25-20(27-18)28-7-9-30-10-8-28/h11-13,15H,3-10H2,1-2H3,(H2,22,23,24).
What are the key properties of 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine?
5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine has a molecular weight of 424.51 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-cyclopentyloxy-2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine is sourced from PubChem (CID 46938046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).