5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine

C17H16ClN3O2S2 — CID 41320288

IUPAC5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2scc(-c3ccc(Cl)cc3)c12)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H16ClN3O2S2/c1-21(13-6-7-25(22,23)9-13)16-15-14(8-24-17(15)20-10-19-16)11-2-4-12(18)5-3-11/h2-5,8,10,13H,6-7,9H2,1H3/t13-/m1/s1
InChIKeyURMBHLPSVSULGO-CYBMUJFWSA-N
MW393.92 g/mol
LogP3.63
Rot. Bonds3

About 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine

5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 41320288) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID41320288
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC Name5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2scc(-c3ccc(Cl)cc3)c12)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C17H16ClN3O2S2/c1-21(13-6-7-25(22,23)9-13)16-15-14(8-24-17(15)20-10-19-16)11-2-4-12(18)5-3-11/h2-5,8,10,13H,6-7,9H2,1H3/t13-/m1/s1
InChIKeyURMBHLPSVSULGO-CYBMUJFWSA-N
XLogP3.63
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 2421820
N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 8560450
N-(1,1-dioxothiolan-3-yl)-N,7-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874973
6-chloro-N-(1,1-dioxothiolan-3-yl)-N-methyl-5-nitropyrimidin-4-amine
CID 62101682
2-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-methylamino]-N-propylacetamide
CID 9195777
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 26010762
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 45356152
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80789505
(3R)-N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 51981068
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325263
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7116274
1-[4-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 39967644

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 41320288) is 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine is CN(c1ncnc2scc(-c3ccc(Cl)cc3)c12)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is URMBHLPSVSULGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-21(13-6-7-25(22,23)9-13)16-15-14(8-24-17(15)20-10-19-16)11-2-4-12(18)5-3-11/h2-5,8,10,13H,6-7,9H2,1H3/t13-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 393.92 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 41320288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).