(5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

C20H17N3OS2 — CID 46883041

IUPAC(5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCc1ccc(C(=O)c2nc(NC(C)c3ccccc3)nc3ccsc23)s1
InChIInChI=1S/C20H17N3OS2/c1-12-8-9-16(26-12)18(24)17-19-15(10-11-25-19)22-20(23-17)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23)
InChIKeyMLKMPNVJTQCFQV-UHFFFAOYSA-N
MW379.51 g/mol
LogP5.47
Rot. Bonds5

About (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone

(5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 46883041) has the molecular formula C20H17N3OS2 and a molecular weight of 379.51 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID46883041
Molecular FormulaC20H17N3OS2
Molecular Weight379.51 g/mol
Exact Mass379.08
IUPAC Name(5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESCc1ccc(C(=O)c2nc(NC(C)c3ccccc3)nc3ccsc23)s1
InChIInChI=1S/C20H17N3OS2/c1-12-8-9-16(26-12)18(24)17-19-15(10-11-25-19)22-20(23-17)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23)
InChIKeyMLKMPNVJTQCFQV-UHFFFAOYSA-N
XLogP5.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone with MolForge

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Related Compounds

1-[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]ethanone
CID 76332495
2-Aminothieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 9903342
Thiophen-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 11278445
2-Ethylthieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 22674365
(2-Methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674372
Phenyl 2-trifluoromethylthieno[3,2-d]pyrimidin-4-ylmethanone
CID 22674379
(2-Methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674386
[2-(2-Hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674390
Thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674393
[2-(Ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674410
[2-(3-Hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674411
2-Hydrazinothieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 22674428

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 46883041) is (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is Cc1ccc(C(=O)c2nc(NC(C)c3ccccc3)nc3ccsc23)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is MLKMPNVJTQCFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS2/c1-12-8-9-16(26-12)18(24)17-19-15(10-11-25-19)22-20(23-17)21-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,21,22,23).
What are the key properties of (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone?
(5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 379.51 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)-[2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 46883041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).