5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine

C18H22N8O — CID 127049342

IUPAC5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
SMILESCn1c(C2CCC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C18H22N8O/c1-25-15(11-3-2-4-11)22-13-16(25)23-14(12-9-20-18(19)21-10-12)24-17(13)26-5-7-27-8-6-26/h9-11H,2-8H2,1H3,(H2,19,20,21)
InChIKeyPLALPCKDJVTQID-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.51
Rot. Bonds3

About 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine

5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine (PubChem CID 127049342) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
PubChem CID127049342
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC Name5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
SMILESCn1c(C2CCC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C18H22N8O/c1-25-15(11-3-2-4-11)22-13-16(25)23-14(12-9-20-18(19)21-10-12)24-17(13)26-5-7-27-8-6-26/h9-11H,2-8H2,1H3,(H2,19,20,21)
InChIKeyPLALPCKDJVTQID-UHFFFAOYSA-N
XLogP1.51
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine (CID 127049342) is 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine is Cn1c(C2CCC2)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21.
What is the InChIKey of 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The InChIKey is PLALPCKDJVTQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c1-25-15(11-3-2-4-11)22-13-16(25)23-14(12-9-20-18(19)21-10-12)24-17(13)26-5-7-27-8-6-26/h9-11H,2-8H2,1H3,(H2,19,20,21).
What are the key properties of 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine has a molecular weight of 366.43 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-cyclobutyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 127049342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).