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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-phenylurea
CID 6539971
Thienopyrimidine deriv. 11
CID 6539972
Thienopyrimidine deriv. 72
CID 6539979
3-(4-{4-Amino-6-methylthieno[2,3-d]pyrimidin-5-yl}phenyl)-1-benzylurea
CID 6539981
Thienopyrimidine deriv. 74
CID 6539983
Thienopyrimidine deriv. 75
CID 6539984
Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 10
CID 6539988
Thienopyrimidine deriv. 12
CID 6539989
Thienopyrimidine deriv. 16
CID 6539993

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).