3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C13H13N3O2S2 — CID 95945086

IUPAC3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESNCCCn1c(=O)[nH]c2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C13H13N3O2S2/c14-4-2-5-16-12(17)10-8(9-3-1-6-19-9)7-20-11(10)15-13(16)18/h1,3,6-7H,2,4-5,14H2,(H,15,18)
InChIKeyDHNVXMOSBYCMAK-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.83
Rot. Bonds4

About 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 95945086) has the molecular formula C13H13N3O2S2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID95945086
Molecular FormulaC13H13N3O2S2
Molecular Weight307.40 g/mol
Exact Mass307.04
IUPAC Name3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESNCCCn1c(=O)[nH]c2scc(-c3cccs3)c2c1=O
InChIInChI=1S/C13H13N3O2S2/c14-4-2-5-16-12(17)10-8(9-3-1-6-19-9)7-20-11(10)15-13(16)18/h1,3,6-7H,2,4-5,14H2,(H,15,18)
InChIKeyDHNVXMOSBYCMAK-UHFFFAOYSA-N
XLogP1.83
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 95945086) is 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione is NCCCn1c(=O)[nH]c2scc(-c3cccs3)c2c1=O.
What is the InChIKey of 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DHNVXMOSBYCMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S2/c14-4-2-5-16-12(17)10-8(9-3-1-6-19-9)7-20-11(10)15-13(16)18/h1,3,6-7H,2,4-5,14H2,(H,15,18).
What are the key properties of 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 307.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-5-thiophen-2-yl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 95945086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).