3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

C11H15N3O2S — CID 56686617

IUPAC3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCN(C)CCCn1c(=O)[nH]c2ccsc2c1=O
InChIInChI=1S/C11H15N3O2S/c1-13(2)5-3-6-14-10(15)9-8(4-7-17-9)12-11(14)16/h4,7H,3,5-6H2,1-2H3,(H,12,16)
InChIKeyBVXMWQKEFXTKPW-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.70
Rot. Bonds4

About 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 56686617) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID56686617
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCN(C)CCCn1c(=O)[nH]c2ccsc2c1=O
InChIInChI=1S/C11H15N3O2S/c1-13(2)5-3-6-14-10(15)9-8(4-7-17-9)12-11(14)16/h4,7H,3,5-6H2,1-2H3,(H,12,16)
InChIKeyBVXMWQKEFXTKPW-UHFFFAOYSA-N
XLogP0.70
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 56686617) is 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is CN(C)CCCn1c(=O)[nH]c2ccsc2c1=O.
What is the InChIKey of 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is BVXMWQKEFXTKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-13(2)5-3-6-14-10(15)9-8(4-7-17-9)12-11(14)16/h4,7H,3,5-6H2,1-2H3,(H,12,16).
What are the key properties of 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 253.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56686617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).