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

C20H15N3OS — CID 21009510

IUPAC1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C20H15N3OS/c1-13(24)14-7-9-16(10-8-14)23-19-18-17(15-5-3-2-4-6-15)11-25-20(18)22-12-21-19/h2-12H,1H3,(H,21,22,23)
InChIKeyQFSXKGPTTUFICQ-UHFFFAOYSA-N
MW345.43 g/mol
LogP5.30
Rot. Bonds4

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

1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone (PubChem CID 21009510) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
PubChem CID21009510
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC Name1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1
InChIInChI=1S/C20H15N3OS/c1-13(24)14-7-9-16(10-8-14)23-19-18-17(15-5-3-2-4-6-15)11-25-20(18)22-12-21-19/h2-12H,1H3,(H,21,22,23)
InChIKeyQFSXKGPTTUFICQ-UHFFFAOYSA-N
XLogP5.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.43
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[[5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 21009523
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]arsonic acid
CID 112501316
2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
CID 17499231
N-(4-butoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 44635936
propan-2-yl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21012634
5-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2420107
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 4076019
methyl 4-chloro-3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21011894
N-[3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011857
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 21010054

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone (CID 21009510) is 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone is CC(=O)c1ccc(Nc2ncnc3scc(-c4ccccc4)c23)cc1.
What is the InChIKey of 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone?
The InChIKey is QFSXKGPTTUFICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c1-13(24)14-7-9-16(10-8-14)23-19-18-17(15-5-3-2-4-6-15)11-25-20(18)22-12-21-19/h2-12H,1H3,(H,21,22,23).
What are the key properties of 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone?
1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone has a molecular weight of 345.43 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 21009510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).