(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone

C10H12N6O2 — CID 140856787

IUPAC(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone
SMILESNc1nc(C(=O)N2CCOCC2)nc2nc[nH]c12
InChIInChI=1S/C10H12N6O2/c11-7-6-8(13-5-12-6)15-9(14-7)10(17)16-1-3-18-4-2-16/h5H,1-4H2,(H3,11,12,13,14,15)
InChIKeyQSXNGLYFTWZDSN-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.59
Rot. Bonds1

About (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone

(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone (PubChem CID 140856787) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone
PubChem CID140856787
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone
SMILESNc1nc(C(=O)N2CCOCC2)nc2nc[nH]c12
InChIInChI=1S/C10H12N6O2/c11-7-6-8(13-5-12-6)15-9(14-7)10(17)16-1-3-18-4-2-16/h5H,1-4H2,(H3,11,12,13,14,15)
InChIKeyQSXNGLYFTWZDSN-UHFFFAOYSA-N
XLogP-0.59
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone (CID 140856787) is (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone is Nc1nc(C(=O)N2CCOCC2)nc2nc[nH]c12.
What is the InChIKey of (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone?
The InChIKey is QSXNGLYFTWZDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-7-6-8(13-5-12-6)15-9(14-7)10(17)16-1-3-18-4-2-16/h5H,1-4H2,(H3,11,12,13,14,15).
What are the key properties of (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone?
(6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone has a molecular weight of 248.25 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-7H-purin-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 140856787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).