1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

C13H20N4O2S — CID 103326416

IUPAC1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCNc1nc(N(C)CC(O)COC)c2ccsc2n1
InChIInChI=1S/C13H20N4O2S/c1-4-14-13-15-11(10-5-6-20-12(10)16-13)17(2)7-9(18)8-19-3/h5-6,9,18H,4,7-8H2,1-3H3,(H,14,15,16)
InChIKeyOJMOTIRLWXMSCW-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.57
Rot. Bonds7

About 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol

1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 103326416) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
PubChem CID103326416
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol
SMILESCCNc1nc(N(C)CC(O)COC)c2ccsc2n1
InChIInChI=1S/C13H20N4O2S/c1-4-14-13-15-11(10-5-6-20-12(10)16-13)17(2)7-9(18)8-19-3/h5-6,9,18H,4,7-8H2,1-3H3,(H,14,15,16)
InChIKeyOJMOTIRLWXMSCW-UHFFFAOYSA-N
XLogP1.57
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol (CID 103326416) is 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is CCNc1nc(N(C)CC(O)COC)c2ccsc2n1.
What is the InChIKey of 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is OJMOTIRLWXMSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-4-14-13-15-11(10-5-6-20-12(10)16-13)17(2)7-9(18)8-19-3/h5-6,9,18H,4,7-8H2,1-3H3,(H,14,15,16).
What are the key properties of 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol?
1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 296.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103326416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).