2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide

C17H18N4OS — CID 2556904

IUPAC2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H18N4OS/c1-11(2)21(9-15(18)22)16-13-8-14(12-6-4-3-5-7-12)23-17(13)20-10-19-16/h3-8,10-11H,9H2,1-2H3,(H2,18,22)
InChIKeyPXMMRSQLVRINIS-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.06
Rot. Bonds5

About 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide

2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide (PubChem CID 2556904) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide
PubChem CID2556904
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H18N4OS/c1-11(2)21(9-15(18)22)16-13-8-14(12-6-4-3-5-7-12)23-17(13)20-10-19-16/h3-8,10-11H,9H2,1-2H3,(H2,18,22)
InChIKeyPXMMRSQLVRINIS-UHFFFAOYSA-N
XLogP3.06
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide (CID 2556904) is 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)c1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide?
The InChIKey is PXMMRSQLVRINIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11(2)21(9-15(18)22)16-13-8-14(12-6-4-3-5-7-12)23-17(13)20-10-19-16/h3-8,10-11H,9H2,1-2H3,(H2,18,22).
What are the key properties of 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide?
2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide has a molecular weight of 326.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 2556904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).