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

C15H18N8O — CID 143903048

IUPAC5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
SMILESCCn1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C15H18N8O/c1-2-22-9-19-11-13(22)20-12(10-7-17-15(16)18-8-10)21-14(11)23-3-5-24-6-4-23/h7-9H,2-6H2,1H3,(H2,16,17,18)
InChIKeyFUUKWBMJXIZPRX-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.72
Rot. Bonds3

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

5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine (PubChem CID 143903048) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
PubChem CID143903048
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
SMILESCCn1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21
InChIInChI=1S/C15H18N8O/c1-2-22-9-19-11-13(22)20-12(10-7-17-15(16)18-8-10)21-14(11)23-3-5-24-6-4-23/h7-9H,2-6H2,1H3,(H2,16,17,18)
InChIKeyFUUKWBMJXIZPRX-UHFFFAOYSA-N
XLogP0.72
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[6-morpholin-4-yl-9-(3-morpholin-4-ylpropyl)purin-2-yl]pyrimidin-2-amine
CID 66909825
4-[9-ethyl-2-(6-methoxy-3-pyridinyl)purin-6-yl]morpholine
CID 123266985
5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 127049341
4-(9-ethyl-2-methylpurin-6-yl)morpholine
CID 168920801
4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
CID 59333669
1-[4-[[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]methyl]phenyl]propan-1-one
CID 159646523
4-[2-chloro-9-(oxolan-3-ylmethyl)purin-6-yl]morpholine;methane;5-[6-morpholin-4-yl-9-(oxolan-3-ylmethyl)purin-2-yl]pyrimidin-2-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 157345720
(E)-3-[4-[[2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 118374535
2-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]-2-(4-methylsulfonylpiperazin-1-yl)acetaldehyde
CID 87200590
(3S)-4-[2-chloro-9-(2,2,2-trifluoroethyl)purin-6-yl]-3-methylmorpholine;5-[6-[(3S)-3-methylmorpholin-4-yl]-9-(2,2,2-trifluoroethyl)purin-2-yl]pyrimidin-2-amine
CID 158526466
7-[2-(6-amino-3-pyridinyl)-6-morpholin-4-ylpurin-9-yl]-1-hydroxyheptan-2-one
CID 126580532

Frequently Asked Questions

What is the IUPAC name of 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine (CID 143903048) is 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine is CCn1cnc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21.
What is the InChIKey of 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
The InChIKey is FUUKWBMJXIZPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-2-22-9-19-11-13(22)20-12(10-7-17-15(16)18-8-10)21-14(11)23-3-5-24-6-4-23/h7-9H,2-6H2,1H3,(H2,16,17,18).
What are the key properties of 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine?
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine has a molecular weight of 326.36 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 143903048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).