4-(9-ethyl-2-methylpurin-6-yl)morpholine

C12H17N5O — CID 168920801

IUPAC4-(9-ethyl-2-methylpurin-6-yl)morpholine
SMILESCCn1cnc2c(N3CCOCC3)nc(C)nc21
InChIInChI=1S/C12H17N5O/c1-3-16-8-13-10-11(16)14-9(2)15-12(10)17-4-6-18-7-5-17/h8H,3-7H2,1-2H3
InChIKeyQGACDWFYZDZNHW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.99
Rot. Bonds2

About 4-(9-ethyl-2-methylpurin-6-yl)morpholine

4-(9-ethyl-2-methylpurin-6-yl)morpholine (PubChem CID 168920801) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(9-ethyl-2-methylpurin-6-yl)morpholine.

Molecular Properties

Compound Name4-(9-ethyl-2-methylpurin-6-yl)morpholine
PubChem CID168920801
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-(9-ethyl-2-methylpurin-6-yl)morpholine
SMILESCCn1cnc2c(N3CCOCC3)nc(C)nc21
InChIInChI=1S/C12H17N5O/c1-3-16-8-13-10-11(16)14-9(2)15-12(10)17-4-6-18-7-5-17/h8H,3-7H2,1-2H3
InChIKeyQGACDWFYZDZNHW-UHFFFAOYSA-N
XLogP0.99
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(9-ethyl-2-pyrrolidin-1-ylpurin-6-yl)morpholine
CID 167824678
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
9-ethyl-N-[(4-methylphenyl)methyl]-6-morpholin-4-ylpurin-2-amine
CID 166396031
4-[9-ethyl-2-(6-methoxy-3-pyridinyl)purin-6-yl]morpholine
CID 123266985
1-(2-chloro-9-ethylpurin-6-yl)piperidin-4-ol
CID 168921173
3-(2-chloro-6-morpholin-4-ylpurin-9-yl)propanoic acid
CID 123591133
4-(9-ethyl-2-methyl-6-morpholin-4-ylpurin-8-yl)-1-methylpiperazin-2-one
CID 168920876
2-[6-morpholin-4-yl-2-(pentanoylamino)purin-9-yl]acetic acid
CID 53320439
N-methyl-1-(6-methyl-2-pyridinyl)-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
CID 175657206
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
5-[9-(cyclopropylmethyl)-6-morpholin-4-ylpurin-2-yl]-N-methylpyrimidin-2-amine
CID 59333669
tributyl-(9-methyl-6-morpholin-4-ylpurin-2-yl)stannane
CID 141284313

Frequently Asked Questions

What is the IUPAC name of 4-(9-ethyl-2-methylpurin-6-yl)morpholine?
The IUPAC name of 4-(9-ethyl-2-methylpurin-6-yl)morpholine (CID 168920801) is 4-(9-ethyl-2-methylpurin-6-yl)morpholine.
What is the SMILES notation for 4-(9-ethyl-2-methylpurin-6-yl)morpholine?
The canonical SMILES for 4-(9-ethyl-2-methylpurin-6-yl)morpholine is CCn1cnc2c(N3CCOCC3)nc(C)nc21.
What is the InChIKey of 4-(9-ethyl-2-methylpurin-6-yl)morpholine?
The InChIKey is QGACDWFYZDZNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-16-8-13-10-11(16)14-9(2)15-12(10)17-4-6-18-7-5-17/h8H,3-7H2,1-2H3.
What are the key properties of 4-(9-ethyl-2-methylpurin-6-yl)morpholine?
4-(9-ethyl-2-methylpurin-6-yl)morpholine has a molecular weight of 247.30 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-ethyl-2-methylpurin-6-yl)morpholine is sourced from PubChem (CID 168920801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).