5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione

C17H23N3O3S — CID 4848463

IUPAC5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)(C)C(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C17H23N3O3S/c1-17(2,3)13(21)12-11(18)10-14(22)19-16(23)20(15(10)24-12)9-7-5-4-6-8-9/h9H,4-8,18H2,1-3H3,(H,19,22,23)
InChIKeyWVDIJRUKDYHWJE-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.07
Rot. Bonds2

About 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione

5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 4848463) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID4848463
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)(C)C(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C1CCCCC1
InChIInChI=1S/C17H23N3O3S/c1-17(2,3)13(21)12-11(18)10-14(22)19-16(23)20(15(10)24-12)9-7-5-4-6-8-9/h9H,4-8,18H2,1-3H3,(H,19,22,23)
InChIKeyWVDIJRUKDYHWJE-UHFFFAOYSA-N
XLogP3.07
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 4848463) is 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione is CC(C)(C)C(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C1CCCCC1.
What is the InChIKey of 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WVDIJRUKDYHWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-17(2,3)13(21)12-11(18)10-14(22)19-16(23)20(15(10)24-12)9-7-5-4-6-8-9/h9H,4-8,18H2,1-3H3,(H,19,22,23).
What are the key properties of 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione?
5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 349.46 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclohexyl-6-(2,2-dimethylpropanoyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4848463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).