6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione

C10H11N3O2S — CID 121205397

IUPAC6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCc2cccs2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O2S/c14-9-6-8(12-10(15)13-9)11-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2,(H3,11,12,13,14,15)
InChIKeyZSZHKLPMEHZSSD-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.78
Rot. Bonds4

About 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione

6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione (PubChem CID 121205397) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione
PubChem CID121205397
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCCc2cccs2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N3O2S/c14-9-6-8(12-10(15)13-9)11-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2,(H3,11,12,13,14,15)
InChIKeyZSZHKLPMEHZSSD-UHFFFAOYSA-N
XLogP0.78
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione (CID 121205397) is 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione is O=c1cc(NCCc2cccs2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is ZSZHKLPMEHZSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-9-6-8(12-10(15)13-9)11-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2,(H3,11,12,13,14,15).
What are the key properties of 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione?
6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 237.28 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-thiophen-2-ylethylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121205397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).