4-(7H-purin-2-yl)morpholine

C9H11N5O — CID 66658580

IUPAC4-(7H-purin-2-yl)morpholine
SMILESc1nc2nc(N3CCOCC3)ncc2[nH]1
InChIInChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-10-5-7-8(13-9)12-6-11-7/h5-6H,1-4H2,(H,10,11,12,13)
InChIKeyIBVOXEAVUMUIBU-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.19
Rot. Bonds1

About 4-(7H-purin-2-yl)morpholine

4-(7H-purin-2-yl)morpholine (PubChem CID 66658580) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 4-(7H-purin-2-yl)morpholine.

Molecular Properties

Compound Name4-(7H-purin-2-yl)morpholine
PubChem CID66658580
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name4-(7H-purin-2-yl)morpholine
SMILESc1nc2nc(N3CCOCC3)ncc2[nH]1
InChIInChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-10-5-7-8(13-9)12-6-11-7/h5-6H,1-4H2,(H,10,11,12,13)
InChIKeyIBVOXEAVUMUIBU-UHFFFAOYSA-N
XLogP0.19
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7H-purin-2-yl)morpholine?
The IUPAC name of 4-(7H-purin-2-yl)morpholine (CID 66658580) is 4-(7H-purin-2-yl)morpholine.
What is the SMILES notation for 4-(7H-purin-2-yl)morpholine?
The canonical SMILES for 4-(7H-purin-2-yl)morpholine is c1nc2nc(N3CCOCC3)ncc2[nH]1.
What is the InChIKey of 4-(7H-purin-2-yl)morpholine?
The InChIKey is IBVOXEAVUMUIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-3-15-4-2-14(1)9-10-5-7-8(13-9)12-6-11-7/h5-6H,1-4H2,(H,10,11,12,13).
What are the key properties of 4-(7H-purin-2-yl)morpholine?
4-(7H-purin-2-yl)morpholine has a molecular weight of 205.22 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7H-purin-2-yl)morpholine is sourced from PubChem (CID 66658580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).