1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone

C19H23N3O4S — CID 91477057

IUPAC1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCCNc1c(C(C)=O)sc2nc(OC(C)C(C)O)nc(-c3ccc(C)o3)c12
InChIInChI=1S/C19H23N3O4S/c1-6-20-16-14-15(13-8-7-9(2)25-13)21-19(26-12(5)10(3)23)22-18(14)27-17(16)11(4)24/h7-8,10,12,20,23H,6H2,1-5H3
InChIKeyKASDXQYEIXLBMX-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.04
Rot. Bonds7

About 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone

1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone (PubChem CID 91477057) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone.

Molecular Properties

Compound Name1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone
PubChem CID91477057
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Name1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone
SMILESCCNc1c(C(C)=O)sc2nc(OC(C)C(C)O)nc(-c3ccc(C)o3)c12
InChIInChI=1S/C19H23N3O4S/c1-6-20-16-14-15(13-8-7-9(2)25-13)21-19(26-12(5)10(3)23)22-18(14)27-17(16)11(4)24/h7-8,10,12,20,23H,6H2,1-5H3
InChIKeyKASDXQYEIXLBMX-UHFFFAOYSA-N
XLogP4.04
TPSA97.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The IUPAC name of 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone (CID 91477057) is 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone.
What is the SMILES notation for 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The canonical SMILES for 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone is CCNc1c(C(C)=O)sc2nc(OC(C)C(C)O)nc(-c3ccc(C)o3)c12.
What is the InChIKey of 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
The InChIKey is KASDXQYEIXLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-6-20-16-14-15(13-8-7-9(2)25-13)21-19(26-12(5)10(3)23)22-18(14)27-17(16)11(4)24/h7-8,10,12,20,23H,6H2,1-5H3.
What are the key properties of 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone?
1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone has a molecular weight of 389.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)-2-(3-hydroxybutan-2-yloxy)-4-(5-methylfuran-2-yl)thieno[2,3-d]pyrimidin-6-yl]ethanone is sourced from PubChem (CID 91477057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).