6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide

C18H21Cl2N5O4S — CID 86621080

IUPAC6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(Cl)c(Cl)n1Cc1sc2c(c1C(=O)N(C)O)c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C18H21Cl2N5O4S/c1-8(2)6-25-17-12(15(26)22(4)18(25)28)11(16(27)23(5)29)10(30-17)7-24-9(3)21-13(19)14(24)20/h8,29H,6-7H2,1-5H3
InChIKeyJGCWJULTVYNEBS-UHFFFAOYSA-N
MW474.37 g/mol
LogP2.74
Rot. Bonds5

About 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide

6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide (PubChem CID 86621080) has the molecular formula C18H21Cl2N5O4S and a molecular weight of 474.37 g/mol. Its IUPAC name is 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide
PubChem CID86621080
Molecular FormulaC18H21Cl2N5O4S
Molecular Weight474.37 g/mol
Exact Mass473.07
IUPAC Name6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide
SMILESCc1nc(Cl)c(Cl)n1Cc1sc2c(c1C(=O)N(C)O)c(=O)n(C)c(=O)n2CC(C)C
InChIInChI=1S/C18H21Cl2N5O4S/c1-8(2)6-25-17-12(15(26)22(4)18(25)28)11(16(27)23(5)29)10(30-17)7-24-9(3)21-13(19)14(24)20/h8,29H,6-7H2,1-5H3
InChIKeyJGCWJULTVYNEBS-UHFFFAOYSA-N
XLogP2.74
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide (CID 86621080) is 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide is Cc1nc(Cl)c(Cl)n1Cc1sc2c(c1C(=O)N(C)O)c(=O)n(C)c(=O)n2CC(C)C.
What is the InChIKey of 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is JGCWJULTVYNEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N5O4S/c1-8(2)6-25-17-12(15(26)22(4)18(25)28)11(16(27)23(5)29)10(30-17)7-24-9(3)21-13(19)14(24)20/h8,29H,6-7H2,1-5H3.
What are the key properties of 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide?
6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 474.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dichloro-2-methylimidazol-1-yl)methyl]-N-hydroxy-N,3-dimethyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 86621080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).