6,8-dimethyl-2-morpholin-4-ylpteridin-7-one

C12H15N5O2 — CID 3234245

IUPAC6,8-dimethyl-2-morpholin-4-ylpteridin-7-one
SMILESCc1nc2cnc(N3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C12H15N5O2/c1-8-11(18)16(2)10-9(14-8)7-13-12(15-10)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3
InChIKeyLGMCREIRQVUDBX-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.13
Rot. Bonds1

About 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one

6,8-dimethyl-2-morpholin-4-ylpteridin-7-one (PubChem CID 3234245) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name6,8-dimethyl-2-morpholin-4-ylpteridin-7-one
PubChem CID3234245
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name6,8-dimethyl-2-morpholin-4-ylpteridin-7-one
SMILESCc1nc2cnc(N3CCOCC3)nc2n(C)c1=O
InChIInChI=1S/C12H15N5O2/c1-8-11(18)16(2)10-9(14-8)7-13-12(15-10)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3
InChIKeyLGMCREIRQVUDBX-UHFFFAOYSA-N
XLogP-0.13
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one (CID 3234245) is 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one is Cc1nc2cnc(N3CCOCC3)nc2n(C)c1=O.
What is the InChIKey of 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one?
The InChIKey is LGMCREIRQVUDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-11(18)16(2)10-9(14-8)7-13-12(15-10)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one?
6,8-dimethyl-2-morpholin-4-ylpteridin-7-one has a molecular weight of 261.28 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3234245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).