4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione

C13H13ClN4O2S — CID 103322008

IUPAC4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCc1cc2c(N3CC(=O)NC(=O)C3(C)C)nc(Cl)nc2s1
InChIInChI=1S/C13H13ClN4O2S/c1-6-4-7-9(16-12(14)17-10(7)21-6)18-5-8(19)15-11(20)13(18,2)3/h4H,5H2,1-3H3,(H,15,19,20)
InChIKeyURCFSONGKWPLMU-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.89
Rot. Bonds1

About 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione

4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 103322008) has the molecular formula C13H13ClN4O2S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID103322008
Molecular FormulaC13H13ClN4O2S
Molecular Weight324.79 g/mol
Exact Mass324.04
IUPAC Name4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione
SMILESCc1cc2c(N3CC(=O)NC(=O)C3(C)C)nc(Cl)nc2s1
InChIInChI=1S/C13H13ClN4O2S/c1-6-4-7-9(16-12(14)17-10(7)21-6)18-5-8(19)15-11(20)13(18,2)3/h4H,5H2,1-3H3,(H,15,19,20)
InChIKeyURCFSONGKWPLMU-UHFFFAOYSA-N
XLogP1.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(azetidin-1-yl)-2-chloro-6-methylthieno[2,3-d]pyrimidine
CID 130547955
4-(6-amino-3,5-dichloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 102758858
2-chloro-4-(3,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322044
4-(4-chloro-1,3-thiazol-2-yl)-3,3-dimethylpiperazine-2,6-dione
CID 83155750
4-(5-amino-3-chloro-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 114046259
2-chloro-4-(4,4-dimethylazepan-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321928
4-(3-amino-5-methyl-2-pyridinyl)-3,3-dimethylpiperazine-2,6-dione
CID 66278904
2-chloro-4-(2,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103322626
2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methylthieno[2,3-d]pyrimidine
CID 103321606
2-chloro-6-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)thieno[2,3-d]pyrimidine
CID 103321977
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3,3-dimethylpiperazine-2,6-dione
CID 106768016
1-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 103321991

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione (CID 103322008) is 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione is Cc1cc2c(N3CC(=O)NC(=O)C3(C)C)nc(Cl)nc2s1.
What is the InChIKey of 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is URCFSONGKWPLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2S/c1-6-4-7-9(16-12(14)17-10(7)21-6)18-5-8(19)15-11(20)13(18,2)3/h4H,5H2,1-3H3,(H,15,19,20).
What are the key properties of 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione?
4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 324.79 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 103322008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).