2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide

C15H18N6O4S — CID 135847280

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C/c2c(O)n(C)c(=O)n(C)c2=O)n1
InChIInChI=1S/C15H18N6O4S/c1-8-5-9(2)18-14(17-8)26-7-11(22)19-16-6-10-12(23)20(3)15(25)21(4)13(10)24/h5-6,23H,7H2,1-4H3,(H,19,22)/b16-6+
InChIKeyIQYDEEIIKPVZKB-OMCISZLKSA-N
MW378.41 g/mol
LogP-0.56
Rot. Bonds5

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide (PubChem CID 135847280) has the molecular formula C15H18N6O4S and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide
PubChem CID135847280
Molecular FormulaC15H18N6O4S
Molecular Weight378.41 g/mol
Exact Mass378.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide
SMILESCc1cc(C)nc(SCC(=O)N/N=C/c2c(O)n(C)c(=O)n(C)c2=O)n1
InChIInChI=1S/C15H18N6O4S/c1-8-5-9(2)18-14(17-8)26-7-11(22)19-16-6-10-12(23)20(3)15(25)21(4)13(10)24/h5-6,23H,7H2,1-4H3,(H,19,22)/b16-6+
InChIKeyIQYDEEIIKPVZKB-OMCISZLKSA-N
XLogP-0.56
TPSA131.47 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide (CID 135847280) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide is Cc1cc(C)nc(SCC(=O)N/N=C/c2c(O)n(C)c(=O)n(C)c2=O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide?
The InChIKey is IQYDEEIIKPVZKB-OMCISZLKSA-N. The full InChI is InChI=1S/C15H18N6O4S/c1-8-5-9(2)18-14(17-8)26-7-11(22)19-16-6-10-12(23)20(3)15(25)21(4)13(10)24/h5-6,23H,7H2,1-4H3,(H,19,22)/b16-6+.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide has a molecular weight of 378.41 g/mol, XLogP of -0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]acetamide is sourced from PubChem (CID 135847280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).