3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione

C10H17N3O2S — CID 106934102

IUPAC3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione
SMILESCCSCCn1ccc(=O)n(CCN)c1=O
InChIInChI=1S/C10H17N3O2S/c1-2-16-8-7-12-5-3-9(14)13(6-4-11)10(12)15/h3,5H,2,4,6-8,11H2,1H3
InChIKeyRVQVZQGMFPZDRQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP-0.28
Rot. Bonds6

About 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione

3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione (PubChem CID 106934102) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione
PubChem CID106934102
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione
SMILESCCSCCn1ccc(=O)n(CCN)c1=O
InChIInChI=1S/C10H17N3O2S/c1-2-16-8-7-12-5-3-9(14)13(6-4-11)10(12)15/h3,5H,2,4,6-8,11H2,1H3
InChIKeyRVQVZQGMFPZDRQ-UHFFFAOYSA-N
XLogP-0.28
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione (CID 106934102) is 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione is CCSCCn1ccc(=O)n(CCN)c1=O.
What is the InChIKey of 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione?
The InChIKey is RVQVZQGMFPZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-2-16-8-7-12-5-3-9(14)13(6-4-11)10(12)15/h3,5H,2,4,6-8,11H2,1H3.
What are the key properties of 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione?
3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione has a molecular weight of 243.33 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-(2-ethylsulfanylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106934102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).