5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C24H24N6O2S — CID 168888055

IUPAC5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc(C3=C[C@H](c4cnn(C5CC5)c4)OCC3)nc(Oc3ccccc3)c2s1
InChIInChI=1S/C24H24N6O2S/c1-29(2)24-28-22-20(33-24)23(32-18-6-4-3-5-7-18)27-21(26-22)15-10-11-31-19(12-15)16-13-25-30(14-16)17-8-9-17/h3-7,12-14,17,19H,8-11H2,1-2H3/t19-/m1/s1
InChIKeyNAYYIPRUVXIWRO-LJQANCHMSA-N
MW460.56 g/mol
LogP5.02
Rot. Bonds6

About 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 168888055) has the molecular formula C24H24N6O2S and a molecular weight of 460.56 g/mol. Its IUPAC name is 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
PubChem CID168888055
Molecular FormulaC24H24N6O2S
Molecular Weight460.56 g/mol
Exact Mass460.17
IUPAC Name5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
SMILESCN(C)c1nc2nc(C3=C[C@H](c4cnn(C5CC5)c4)OCC3)nc(Oc3ccccc3)c2s1
InChIInChI=1S/C24H24N6O2S/c1-29(2)24-28-22-20(33-24)23(32-18-6-4-3-5-7-18)27-21(26-22)15-10-11-31-19(12-15)16-13-25-30(14-16)17-8-9-17/h3-7,12-14,17,19H,8-11H2,1-2H3/t19-/m1/s1
InChIKeyNAYYIPRUVXIWRO-LJQANCHMSA-N
XLogP5.02
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The IUPAC name of 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 168888055) is 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.
What is the SMILES notation for 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The canonical SMILES for 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is CN(C)c1nc2nc(C3=C[C@H](c4cnn(C5CC5)c4)OCC3)nc(Oc3ccccc3)c2s1.
What is the InChIKey of 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
The InChIKey is NAYYIPRUVXIWRO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N6O2S/c1-29(2)24-28-22-20(33-24)23(32-18-6-4-3-5-7-18)27-21(26-22)15-10-11-31-19(12-15)16-13-25-30(14-16)17-8-9-17/h3-7,12-14,17,19H,8-11H2,1-2H3/t19-/m1/s1.
What are the key properties of 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?
5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 460.56 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6R)-6-(1-cyclopropylpyrazol-4-yl)-3,6-dihydro-2H-pyran-4-yl]-N,N-dimethyl-7-phenoxy-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 168888055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).