5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine

C15H18N6O3 — CID 73425617

IUPAC5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESC[C@@H]1COc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2O1
InChIInChI=1S/C15H18N6O3/c1-9-8-23-14-11(24-9)13(21-2-4-22-5-3-21)19-12(20-14)10-6-17-15(16)18-7-10/h6-7,9H,2-5,8H2,1H3,(H2,16,17,18)/t9-/m1/s1
InChIKeyKWHQFFPBAOIQIT-SECBINFHSA-N
MW330.35 g/mol
LogP0.51
Rot. Bonds2

About 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 73425617) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID73425617
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESC[C@@H]1COc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2O1
InChIInChI=1S/C15H18N6O3/c1-9-8-23-14-11(24-9)13(21-2-4-22-5-3-21)19-12(20-14)10-6-17-15(16)18-7-10/h6-7,9H,2-5,8H2,1H3,(H2,16,17,18)/t9-/m1/s1
InChIKeyKWHQFFPBAOIQIT-SECBINFHSA-N
XLogP0.51
TPSA108.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine (CID 73425617) is 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine is C[C@@H]1COc2nc(-c3cnc(N)nc3)nc(N3CCOCC3)c2O1.
What is the InChIKey of 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is KWHQFFPBAOIQIT-SECBINFHSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-9-8-23-14-11(24-9)13(21-2-4-22-5-3-21)19-12(20-14)10-6-17-15(16)18-7-10/h6-7,9H,2-5,8H2,1H3,(H2,16,17,18)/t9-/m1/s1.
What are the key properties of 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 330.35 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6R)-6-methyl-4-morpholin-4-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 73425617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).