4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine

C12H16ClN5O — CID 76707359

IUPAC4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1nc(Cl)nc2ncn(C)c12
InChIInChI=1S/C12H16ClN5O/c1-3-8-6-19-5-4-18(8)11-9-10(14-7-17(9)2)15-12(13)16-11/h7-8H,3-6H2,1-2H3
InChIKeyJJTIGCKUMLWXKD-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.63
Rot. Bonds2

About 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine

4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine (PubChem CID 76707359) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine
PubChem CID76707359
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine
SMILESCCC1COCCN1c1nc(Cl)nc2ncn(C)c12
InChIInChI=1S/C12H16ClN5O/c1-3-8-6-19-5-4-18(8)11-9-10(14-7-17(9)2)15-12(13)16-11/h7-8H,3-6H2,1-2H3
InChIKeyJJTIGCKUMLWXKD-UHFFFAOYSA-N
XLogP1.63
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine?
The IUPAC name of 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine (CID 76707359) is 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine.
What is the SMILES notation for 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine?
The canonical SMILES for 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine is CCC1COCCN1c1nc(Cl)nc2ncn(C)c12.
What is the InChIKey of 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine?
The InChIKey is JJTIGCKUMLWXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-3-8-6-19-5-4-18(8)11-9-10(14-7-17(9)2)15-12(13)16-11/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine?
4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine has a molecular weight of 281.75 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7-methylpurin-6-yl)-3-ethylmorpholine is sourced from PubChem (CID 76707359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).