1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone

C15H13N3OS — CID 725407

IUPAC1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1N
InChIInChI=1S/C15H13N3OS/c1-8-11-12(16)13(9(2)19)20-15(11)18-14(17-8)10-6-4-3-5-7-10/h3-7H,16H2,1-2H3
InChIKeyAJHBNPRQILKFEM-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.45
Rot. Bonds2

About 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone

1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone (PubChem CID 725407) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone
PubChem CID725407
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1N
InChIInChI=1S/C15H13N3OS/c1-8-11-12(16)13(9(2)19)20-15(11)18-14(17-8)10-6-4-3-5-7-10/h3-7H,16H2,1-2H3
InChIKeyAJHBNPRQILKFEM-UHFFFAOYSA-N
XLogP3.45
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)phenylmethanone
CID 683024
(3-Amino-6-methylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 689408
Pmid20346665C24
CID 46866191
Pmid20346665C27
CID 46866192
(3-Amino-4,5,6-trimethylthieno[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 682264
Thieno[2,3-d]pyrimidine, 21a
CID 11415286
1-[2-(1,3-Benzothiazol-2-ylamino)-4,6-dimethylpyrimidin-5-yl]ethanone
CID 939124
3,6-Diamino-2-benzoyl-4-methylsulfanylthieno[2,3-b]pyridine-5-carbonitrile
CID 2727621
(5-Amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)(4-fluorophenyl)methanone
CID 2810737
9-Amino-7-cyclopropyl-3-p-tolyl-3H-thieno[2,3-d:4,5-d'']dipyrimidin-4-one
CID 46886120
9-Amino-7-methyl-3-phenyl-3H-thieno[2,3-d:4,5-d'']dipyrimidin-4-one
CID 46886135
13-Amino-5-(4-fluorophenyl)-11-methyl-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 46886137

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone (CID 725407) is 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone is CC(=O)c1sc2nc(-c3ccccc3)nc(C)c2c1N.
What is the InChIKey of 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone?
The InChIKey is AJHBNPRQILKFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-8-11-12(16)13(9(2)19)20-15(11)18-14(17-8)10-6-4-3-5-7-10/h3-7H,16H2,1-2H3.
What are the key properties of 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone?
1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone has a molecular weight of 283.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4-methyl-2-phenylthieno[2,3-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 725407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).