2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine

C15H18ClN5O2 — CID 88581828

IUPAC2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine
SMILESCC1=COC(C)(C)c2nc3c(N4CCOCC4)nc(Cl)nc3n21
InChIInChI=1S/C15H18ClN5O2/c1-9-8-23-15(2,3)13-17-10-11(20-4-6-22-7-5-20)18-14(16)19-12(10)21(9)13/h8H,4-7H2,1-3H3
InChIKeyVLRYEOVHNLMVRS-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.40
Rot. Bonds1

About 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine

2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine (PubChem CID 88581828) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine.

Molecular Properties

Compound Name2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine
PubChem CID88581828
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Name2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine
SMILESCC1=COC(C)(C)c2nc3c(N4CCOCC4)nc(Cl)nc3n21
InChIInChI=1S/C15H18ClN5O2/c1-9-8-23-15(2,3)13-17-10-11(20-4-6-22-7-5-20)18-14(16)19-12(10)21(9)13/h8H,4-7H2,1-3H3
InChIKeyVLRYEOVHNLMVRS-UHFFFAOYSA-N
XLogP2.40
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine?
The IUPAC name of 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine (CID 88581828) is 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine.
What is the SMILES notation for 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine?
The canonical SMILES for 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine is CC1=COC(C)(C)c2nc3c(N4CCOCC4)nc(Cl)nc3n21.
What is the InChIKey of 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine?
The InChIKey is VLRYEOVHNLMVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-9-8-23-15(2,3)13-17-10-11(20-4-6-22-7-5-20)18-14(16)19-12(10)21(9)13/h8H,4-7H2,1-3H3.
What are the key properties of 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine?
2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine has a molecular weight of 335.80 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,6,9-trimethyl-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine is sourced from PubChem (CID 88581828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).