2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide

C11H15N5O3S — CID 1409066

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCn1c(NC(=O)CSC2=NCCN2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H15N5O3S/c1-15-7(5-9(18)16(2)11(15)19)14-8(17)6-20-10-12-3-4-13-10/h5H,3-4,6H2,1-2H3,(H,12,13)(H,14,17)
InChIKeyCAEUYIOGJSQMDG-UHFFFAOYSA-N
MW297.34 g/mol
LogP-1.29
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (PubChem CID 1409066) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
PubChem CID1409066
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide
SMILESCn1c(NC(=O)CSC2=NCCN2)cc(=O)n(C)c1=O
InChIInChI=1S/C11H15N5O3S/c1-15-7(5-9(18)16(2)11(15)19)14-8(17)6-20-10-12-3-4-13-10/h5H,3-4,6H2,1-2H3,(H,12,13)(H,14,17)
InChIKeyCAEUYIOGJSQMDG-UHFFFAOYSA-N
XLogP-1.29
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide (CID 1409066) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is Cn1c(NC(=O)CSC2=NCCN2)cc(=O)n(C)c1=O.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
The InChIKey is CAEUYIOGJSQMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-15-7(5-9(18)16(2)11(15)19)14-8(17)6-20-10-12-3-4-13-10/h5H,3-4,6H2,1-2H3,(H,12,13)(H,14,17).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide has a molecular weight of 297.34 g/mol, XLogP of -1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 1409066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).