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

C18H19N3O2S2 — CID 8560450

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)[C@@H]2CCS(=O)(=O)C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H19N3O2S2/c1-12-19-17(21(2)14-8-9-25(22,23)11-14)16-15(10-24-18(16)20-12)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyPEKJAWAIAVNICD-CQSZACIVSA-N
MW373.50 g/mol
LogP3.29
Rot. Bonds3

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

N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 8560450) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID8560450
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N(C)[C@@H]2CCS(=O)(=O)C2)c2c(-c3ccccc3)csc2n1
InChIInChI=1S/C18H19N3O2S2/c1-12-19-17(21(2)14-8-9-25(22,23)11-14)16-15(10-24-18(16)20-12)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m1/s1
InChIKeyPEKJAWAIAVNICD-CQSZACIVSA-N
XLogP3.29
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine 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

5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 41320288
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2230377
2-[2-hydroxyethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 28848884
2-[(dimethylamino)methyl]-N-(1,1-dioxothiolan-3-yl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278793
4-chloro-6-[(1,1-dioxothiolan-3-yl)-methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80732854
1-[4-[(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417765
N-ethyl-2-[ethyl-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9337907
N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133433969
2-[[[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 41105074
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325263
2-[3-benzyl-5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 3985186

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 8560450) is N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine is Cc1nc(N(C)[C@@H]2CCS(=O)(=O)C2)c2c(-c3ccccc3)csc2n1.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PEKJAWAIAVNICD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c1-12-19-17(21(2)14-8-9-25(22,23)11-14)16-15(10-24-18(16)20-12)13-6-4-3-5-7-13/h3-7,10,14H,8-9,11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 373.50 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-N,2-dimethyl-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 8560450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).