3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide

C16H16N4O2S — CID 16731273

IUPAC3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2sccc12
InChIInChI=1S/C16H16N4O2S/c1-9(2)22-13-7-10(14(17)21)3-4-12(13)20-15-11-5-6-23-16(11)19-8-18-15/h3-9H,1-2H3,(H2,17,21)(H,18,19,20)
InChIKeyGUZNFYCIGOUOHN-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.32
Rot. Bonds5

About 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide

3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide (PubChem CID 16731273) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide.

Molecular Properties

Compound Name3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide
PubChem CID16731273
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide
SMILESCC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2sccc12
InChIInChI=1S/C16H16N4O2S/c1-9(2)22-13-7-10(14(17)21)3-4-12(13)20-15-11-5-6-23-16(11)19-8-18-15/h3-9H,1-2H3,(H2,17,21)(H,18,19,20)
InChIKeyGUZNFYCIGOUOHN-UHFFFAOYSA-N
XLogP3.32
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide?
The IUPAC name of 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide (CID 16731273) is 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide.
What is the SMILES notation for 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide?
The canonical SMILES for 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide is CC(C)Oc1cc(C(N)=O)ccc1Nc1ncnc2sccc12.
What is the InChIKey of 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide?
The InChIKey is GUZNFYCIGOUOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9(2)22-13-7-10(14(17)21)3-4-12(13)20-15-11-5-6-23-16(11)19-8-18-15/h3-9H,1-2H3,(H2,17,21)(H,18,19,20).
What are the key properties of 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide?
3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide has a molecular weight of 328.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzamide is sourced from PubChem (CID 16731273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).