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

C16H20N8O — CID 162658201

IUPAC5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine
SMILESCC(C)n1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C16H20N8O/c1-10(2)24-9-20-12-14(23-3-5-25-6-4-23)21-13(22-15(12)24)11-7-18-16(17)19-8-11/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyIESJNOLDTXKVKQ-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.28
Rot. Bonds3

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

5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine (PubChem CID 162658201) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine
PubChem CID162658201
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine
SMILESCC(C)n1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C16H20N8O/c1-10(2)24-9-20-12-14(23-3-5-25-6-4-23)21-13(22-15(12)24)11-7-18-16(17)19-8-11/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyIESJNOLDTXKVKQ-UHFFFAOYSA-N
XLogP1.28
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine (CID 162658201) is 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine is CC(C)n1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21.
What is the InChIKey of 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine?
The InChIKey is IESJNOLDTXKVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-10(2)24-9-20-12-14(23-3-5-25-6-4-23)21-13(22-15(12)24)11-7-18-16(17)19-8-11/h7-10H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine?
5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine has a molecular weight of 340.39 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-9-propan-2-ylpurin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 162658201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).