3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide

C18H20N4O2S — CID 24765534

IUPAC3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide
SMILESCCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2cc(C)sc12
InChIInChI=1S/C18H20N4O2S/c1-4-10(2)24-15-8-12(17(19)23)5-6-13(15)22-18-16-14(20-9-21-18)7-11(3)25-16/h5-10H,4H2,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeyXLGOYKBLGMOACY-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.02
Rot. Bonds6

About 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide

3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide (PubChem CID 24765534) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide
PubChem CID24765534
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide
SMILESCCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2cc(C)sc12
InChIInChI=1S/C18H20N4O2S/c1-4-10(2)24-15-8-12(17(19)23)5-6-13(15)22-18-16-14(20-9-21-18)7-11(3)25-16/h5-10H,4H2,1-3H3,(H2,19,23)(H,20,21,22)
InChIKeyXLGOYKBLGMOACY-UHFFFAOYSA-N
XLogP4.02
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide?
The IUPAC name of 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide (CID 24765534) is 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide?
The canonical SMILES for 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide is CCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2cc(C)sc12.
What is the InChIKey of 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide?
The InChIKey is XLGOYKBLGMOACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-4-10(2)24-15-8-12(17(19)23)5-6-13(15)22-18-16-14(20-9-21-18)7-11(3)25-16/h5-10H,4H2,1-3H3,(H2,19,23)(H,20,21,22).
What are the key properties of 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide?
3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide has a molecular weight of 356.45 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-4-[(6-methylthieno[3,2-d]pyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 24765534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).