1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H14BrClN4O — CID 106320992

IUPAC1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ncnc(Cl)c2Br)C1
InChIInChI=1S/C11H14BrClN4O/c1-11(10(18)14-2)3-4-17(5-11)9-7(12)8(13)15-6-16-9/h6H,3-5H2,1-2H3,(H,14,18)
InChIKeyWJIBLRGPYKKZEM-UHFFFAOYSA-N
MW333.62 g/mol
LogP1.85
Rot. Bonds2

About 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106320992) has the molecular formula C11H14BrClN4O and a molecular weight of 333.62 g/mol. Its IUPAC name is 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106320992
Molecular FormulaC11H14BrClN4O
Molecular Weight333.62 g/mol
Exact Mass332.00
IUPAC Name1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2ncnc(Cl)c2Br)C1
InChIInChI=1S/C11H14BrClN4O/c1-11(10(18)14-2)3-4-17(5-11)9-7(12)8(13)15-6-16-9/h6H,3-5H2,1-2H3,(H,14,18)
InChIKeyWJIBLRGPYKKZEM-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106320992) is 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2ncnc(Cl)c2Br)C1.
What is the InChIKey of 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is WJIBLRGPYKKZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN4O/c1-11(10(18)14-2)3-4-17(5-11)9-7(12)8(13)15-6-16-9/h6H,3-5H2,1-2H3,(H,14,18).
What are the key properties of 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 333.62 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106320992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).