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

C14H16N8O — CID 44543764

IUPAC5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
SMILESCn1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C14H16N8O/c1-21-8-18-10-12(21)19-11(9-6-16-14(15)17-7-9)20-13(10)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H2,15,16,17)
InChIKeyOGLQNIWTBCUNNG-UHFFFAOYSA-N
MW312.34 g/mol
LogP0.24
Rot. Bonds2

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

5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine (PubChem CID 44543764) has the molecular formula C14H16N8O and a molecular weight of 312.34 g/mol. Its IUPAC name is 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
PubChem CID44543764
Molecular FormulaC14H16N8O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC Name5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
SMILESCn1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C14H16N8O/c1-21-8-18-10-12(21)19-11(9-6-16-14(15)17-7-9)20-13(10)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H2,15,16,17)
InChIKeyOGLQNIWTBCUNNG-UHFFFAOYSA-N
XLogP0.24
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine (CID 44543764) is 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine is Cn1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21.
What is the InChIKey of 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The InChIKey is OGLQNIWTBCUNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O/c1-21-8-18-10-12(21)19-11(9-6-16-14(15)17-7-9)20-13(10)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H2,15,16,17).
What are the key properties of 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine has a molecular weight of 312.34 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44543764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).