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

C13H19N5O3S — CID 1409081

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide
SMILESCC(C)Cn1c(NC(=O)CSC2=NCCN2)cc(=O)[nH]c1=O
InChIInChI=1S/C13H19N5O3S/c1-8(2)6-18-9(5-10(19)17-13(18)21)16-11(20)7-22-12-14-3-4-15-12/h5,8H,3-4,6-7H2,1-2H3,(H,14,15)(H,16,20)(H,17,19,21)
InChIKeyFLHOEWHUHHLOLD-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.18
Rot. Bonds5

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

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide (PubChem CID 1409081) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide
PubChem CID1409081
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide
SMILESCC(C)Cn1c(NC(=O)CSC2=NCCN2)cc(=O)[nH]c1=O
InChIInChI=1S/C13H19N5O3S/c1-8(2)6-18-9(5-10(19)17-13(18)21)16-11(20)7-22-12-14-3-4-15-12/h5,8H,3-4,6-7H2,1-2H3,(H,14,15)(H,16,20)(H,17,19,21)
InChIKeyFLHOEWHUHHLOLD-UHFFFAOYSA-N
XLogP-0.18
TPSA108.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide (CID 1409081) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide is CC(C)Cn1c(NC(=O)CSC2=NCCN2)cc(=O)[nH]c1=O.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide?
The InChIKey is FLHOEWHUHHLOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-8(2)6-18-9(5-10(19)17-13(18)21)16-11(20)7-22-12-14-3-4-15-12/h5,8H,3-4,6-7H2,1-2H3,(H,14,15)(H,16,20)(H,17,19,21).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide has a molecular weight of 325.39 g/mol, XLogP of -0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-[3-(2-methylpropyl)-2,6-dioxopyrimidin-4-yl]acetamide is sourced from PubChem (CID 1409081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).